10967/159 - QDB Compounds

QsarDB Repository

Wen, Y.; Su, L. M.; Qin, W. C.; Fu, L.; He, J.; Zhao, Y. H. Linear and non-linear relationships between soil sorption and hydrophobicity: Model, validation and influencing factors. Chemosphere 2012, 86, 634–640.

701 compounds

IDNameDetails
1MethanolView
2EthanolView
31-PropanolView
41-ButanolView
51,2-PropanediolView
61-PentanolView
71-HexanolView
81-HeptanolView
91-OctanolView
101-NonanolView
111-DecanolView
121-DodecanolView
13Methyl bromideView
14DichloromethaneView
15TrichloromethaneView
16BromodichloromethaneView
17ChlorodibromomethaneView
18TribromomethaneView
19TrichlorofluoromethaneView
20TetrachloromethaneView
21DibromodichloromethaneView
221,1-DichloroethaneView
231,2-DichloroethaneView
241,2-DibromoethaneView
251,1,1-TrichloroethaneView
261,1,2-TrichloroethaneView
271,1,2,2-TetrachloroethaneView
281,1,1,2-TetrachloroethaneView
29HexachloroethaneView
301,2-DichloropropaneView
311,2-Dibromo-3-chloropropaneView
321,1-DichloroetheneView
33trans-1,2-DichloroetheneView
34TrichloroetheneView
35TetrachloroetheneView
361,3-DichloropropeneView
37trans-1,3-DichloropropeneView
38Ethyl pentanoateView
39Ethyl hexanoateView
40Ethyl heptanoateView
41Ethyl octanoateView
42Bis(2-ethylhexyl)adipateView
432-Phenylethyl acetate iView
44Ethyl PhenylacetateView
45Ethyl 1-naphthaleneacetateView
46DecalinView
47HexachlorocyclopentadieneView
48gamma-HexachlorocyclohexaneView
49alpha-HCHView
50beta-HCHView
51AldrinView
52HeptachlorView
53DieldrinView
54EndrinView
55Heptachlor epoxidView
56Alpha-EndosulfanView
57ChlordaneView
58ToxapheneView
59ChlordeconeView
60MirexView
61BenzeneView
62TolueneView
63StyreneView
64EthylbenzeneView
651,2-DimethylbenzeneView
661,3-DimethylbenzeneView
671,4-DimethylbenzeneView
68IndaneView
69PropylbenzeneView
704-EthyltolueneView
711,2,3-TrimethylbenzeneView
721,3,4-TrimethylbenzeneView
731,3,5-TrimethylbenzeneView
74N-ButylbenzeneView
751,2,4,5-TetramethylbenzeneView
76CyclohexylbenzeneView
771,3,5-TriethylbenzeneView
78ChlorobenzeneView
79BromobenzeneView
80IodobenzeneView
812-ChlorotolueneView
821,2-DichlorobenzeneView
831,3-DichlorobenzeneView
841,4-DichlorobenzeneView
851,2,3-TrichlorobenzeneView
861,2,4-TrichlorobenzeneView
871,3,5-TrichlorobenzeneView
881,2,3,4-TetrachlorobenzeneView
891,2,3,5-TetrachlorobenzeneView
901,2,4,5-TetrachlorobenzeneView
91PentachlorobenzeneView
92HexachlorobenzeneView
93PentabromoethylbenzeneView
94NitrobenzeneView
954-BromonitrobenzeneView
963,4-DichloronitrobenzeneView
973-Chloro-4-bromonitrobenzeneView
982,3,5,6-TetrachloronitrobenzeneView
992,3,4,5-TetrachloronitrobenzeneView
100PentachloronitrobenzeneView
101Ethyl 4-nitrobenzoateView
102m-DinitrobenzeneView
103Ethyl 3,5-dinitrobenzoateView
104TrinitrobenzolView
1052,4,6-TrinitrotolueneView
106PendimethalinView
1072,6-Dinitro-N-propyl-4-(trifluoromethyl)aniline iView
108ButralinView
109IsopropalinView
110ChlornidineView
111DinitramineView
112EthalfluralinView
113TrifluralinView
1142,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline iView
115BenfluralinView
116OryzalinView
117ProfluralinView
118FluchloralinView
119FlumetralinView
120PhenolView
121o-cresolView
122m-CresolView
1234-MethylphenolView
1243,5-DimethylphenolView
1252,3,5-TrimethylphenolView
1262-MethoxyphenolView
1273-MethoxyphenolView
1284-MethoxyphenolView
1294-NonylphenolView
1302-NitrophenolView
1314-NitrophenolView
1323-NitrophenolView
133DinosebView
1342-ChlorophenolView
1353-ChlorophenolView
1364-ChlorophenolView
1374-BromophenolView
1382,3-DichlorophenolView
1392,4-DichlorophenolView
1403,4-DichlorophenolView
1413,5-DichlorophenolView
1422,3,5-TrichlorophenolView
1432,4,5-TrichlorophenolView
1442,4,6-TrichlorophenolView
1453,4,5-TrichlorophenolView
1464,5,6-TrichloroguaiacolView
1472,3,4,6-TetrachlorophenolView
148PentachlorophenolView
1493,4,5-TrichloroguaiacolView
150TetrachloroguaiacolView
1515-IndanolView
1521-NaphtholView
153TetrachlorocatecholView
154CatecholView
1551,3-BenzenediolView
156AnilineView
157N-methylanilineView
1583-MethylanilineView
1594-MethylanilineView
1604-ChloroanilineView
1614-BromoanilineView
1623-Methyl-4-bromoanilineView
1632,4-DichloroanilineView
1642,6-DichloroanilineView
1653,4-DichloroanilineView
1663,5-DichloroanilineView
1673-TrifluoromethylanilineView
1682,3,4-TrichloroanilineView
1692,3,4,5-TetrachloroanilineView
1702,3,5,6-TetrachloroanilineView
171PentachloroanilineView
1723-Chloro-4-methoxyanilineView
173Chloramben methylView
174Amino-3-nitrobenzeneView
175Amino-4-nitrobenzeneView
1762,6-Dichloro-4-nitroaniline iView
1773,5-DinitroanilineView
1782,6-Dinitro-4-(trifluoromethyl)anilineView
179N,N-DimethylanilineView
180N,N-DiethylanilineView
181Acetic acidView
182Hexanoic acidView
183DalaponView
184Phenylacetic acidView
1852,3,6-Trichlorophenylacetic acidView
1861-Naphthalene acetic acidView
187(4-Chloro-2-methylphenoxy)acetic acidView
188MecopropView
1892,4-DichlorophenoxyaceticacidView
190DichloropropView
1912,4,5-Trichlorophenoxyacetic acidView
192SilvexView
193Benzoic acidView
1944-Methylbenzoic acidView
1954-Hydroxybenzoic acidView
1964-Aminobenzoic acidView
1973-Amino-2,5-Dichlorobenzoic acidView
198DicambaView
1994-Nitrobenzoic acidView
2003,4-Dinitrobenzoic acidView
2013,5-Dinitrobenzoic acidView
2023,6-Dinitrobenzoic acidView
203Anthracene-9-carboxylic acidView
2046-Chloropicolinic acidView
205PicloramView
206TriclopyrView
207Imazapyr acidView
208MetizolinView
209EndothalView
210Chlorendic acidView
211Phthalic acidView
212TetrachlorophthalateView
2132,3,5,6-Tetrachloroterephthalic acidView
214Methyl benzoateView
215Ethyl benzoateView
216Ethyl 4-methylbenzoateView
217Dimethyl phthalateView
218Phenyl benzoateView
219Diethyl phthalateView
220Diisobutyl phthalateView
221Di-n-butyl phthalateView
222Ethyl carbethoxymethyl phthalateView
223n-Butyl benzyl phthalateView
224Pipron iView
225Dimethyl-2,3,5,6-tetrachloroterephthalateView
226Di-n-hexylphthalateView
2272-Butoxy-2-oxoethyl butyl phthalateView
228Di-2-ethylhexyl phthalateView
229Bis(n-octyl) phthalate iView
230Bis(2-ethylhexyl) terephthalateView
231Diisooctyl phthalateView
232BiphenylView
2332-ChlorobiphenylView
2343-ChlorobiphenylView
2352,2'-DichlorobiphenylView
2362,4'-DichlorobiphenylView
2374,4'-DichlorobiphenylView
2382,4,2'-TrichlorobiphenylView
2392,4,4'-TrichlorobiphenylView
2402,5,2'-TrichlorobiphenylView
2412,2',5,5'-TetrachlorobiphenylView
2422,2',6,6'-TetrachlorobiphenylView
2432,3',4',5-TetrachlorobiphenylView
2442,2',4,5,5'-PentachlorobiphenylView
2452,2',3,4,5'-PentachlorobiphenylView
2462,2',3,3',4,4'-HexachlorobiphenylView
2472,2',3,4,5,5'-HexachlorobiphenylView
2482,2',3,3',5,5'-HexachlorobiphenylView
2492,2',4,4',5,5'-HexachlorobiphenylView
2502,2',3,4,5,5',6-HeptachlorobiphenylView
251HexabromobiphenylView
252HexabromobiphenylView
253OctachloronaphthaleneView
254NaphthaleneView
2552-MethylnaphthaleneView
2561-MethylnaphthaleneView
257AcenaphthyleneView
258AcenaphtheneView
2591-EthylnaphthaleneView
2602-EthylnaphthaleneView
2612,3-dimethylnaphthaleneView
262FluoreneView
263AnthraceneView
264PhenanthreneView
2659-MethylanthraceneView
266FluorantheneView
267PyreneView
268Benzo[a]fluoreneView
269NaphthaceneView
270Benzo[a]anthraceneView
271ChryseneView
272Benzo[b]fluorantheneView
273Benzo[k]fluorantheneView
274Benzo[a]pyreneView
275Benzo[e]pyreneView
2767,12-Dimethylbenz[a]anthraceneView
2773-MethylcholanthreneView
278PeryleneView
279Indeno[1,2,3-cd]pyreneView
280Benzo[g,h,i]peryleneView
2811,2,5,6-DibenzanthraceneView
282Dibenz[a,j]anthraceneView
283Dibenzo[a,i]pyreneView
284AcetanilideView
2853-MethylacetanilideView
2863-FluoroacetanilideView
2874-FluoroacetanilideView
288ButyranilideView
2894-MethoxyacetanilideView
2904-BromoacetanilideView
2913-TrifluoromethylacetanilideView
2922'-ChloroacetanilideView
2932-ChloroacetanilideView
2943-ChloroacetanilideView
2953-NitroacetanilideView
2963-Chloro-4-methoxyacetanilideView
2973-BromoacetanilideView
2983,4-DichloroacetanilideView
299PropanilView
300PentanochlorView
301n-9h-Fluoren-2-yl-acetamideView
302PropachlorView
303AlachlorView
304AcetochlorView
305MetalaxylView
306MetolachlorView
307ButachlorView
308Diethatyl-ethylView
309PhenylureaView
3103-MethylphenylureaView
3112-FluorophenylureaView
3123-FluorophenylureaView
3134-FluorophenylureaView
3143-Methyl-4-fluorophenylureaView
3152-ChlorophenylureaView
3163-ChlorophenylureaView
3173-Chloro-4-methoxyphenylureaView
3183,4-DichlorophenylureaView
3193-BromophenylureaView
3204-BromophenylureaView
3213-Methyl-4-bromophenylureaView
3223-TrifluoromethylphenylureaView
3234-PhenoxylphenylureaView
3243-Phenyl-1-methylureaView
3253-(3-Chlorophenyl)-1-methylureaView
3263-(3-Chloro-4-methylphenyl)-1-methylureaView
3273-(3,4-Dichlorophenyl)-1-methylureaView
3283-(3-Chloro-4-methoxyphenyl)-1-methylureaView
3293-Phenyl-1-cyclopropylureaView
3303-Phenyl-1-cyclopentylureaView
3313-Phenyl-1-cyclohexylureaView
3323-Phenyl-1-cycloheptylureaView
333SiduronView
334FenuronView
3353-(4-Methylphenyl)-1,1-dimethylureaView
3363-(4-Fluorophenyl)-1,1-dimethylureaView
3373-(3-Fluorophenyl)-1,1-dimethylureaView
3383-(3,5-Dimethylphenyl)-1,1-dimethylureaView
3393-(4-Methoxyphenyl)-1,1-dimethylureaView
3403-(3-Methoxyphenyl)-1,1-dimethylureaView
3413-(3-Chlorophenyl)-1,1-dimethylureaView
342MonuronView
343IsoproturonView
344ChlorotoluronView
345MetoxuronView
346FluometuronView
347DiuronView
3483-(3,5-Dimethyl-4-bromophenyl)-1,1-dimethylureaView
349NeburonView
350ChloroxuronView
351MonolinuronView
352LinuronView
353MetobromuronView
354ChlorbromuronView
355Methyl PhenylcarbamateView
356Ethyl-N-phenylcarbamateView
357Isopropyl phenylcarbamate iView
358Propyl-N-phenylcarbamateView
359Butyl-N-phenylcarbamateView
360Pentyl-N-phenylcarbamateView
361ChlorprophamView
362Methyl 3,4-dichlorophenylcarbamateView
363ChlorbufamView
364DesmediphamView
365PhenmediphamView
3663-MethylphenylcarbamateView
3673-EthylphenylcarbamateView
3683-MethoxyphenylcarbamateView
3694-MethoxyphenylcarbamateView
3704-IsopropylphenylcarbamateView
3714-t-ButylphenylcarbamateView
3723-BromophenylcarbamateView
373Methyl-N-phenylcarbamateView
374Xylicarb iView
375TrimethacarbView
376Fenobucarb iView
377CarbarylView
378PropoxurView
379Methyl-N-(3-chlorophenyl)carbamateView
380Methyl-N-(3,4-dichlorophenyl)carbamateView
381CarbofuranView
382BendiocarbView
383MethiocarbView
384BenzamideView
3854-MethylbenzamideView
3862-ChlorobenzamideView
3872,6-Dichlorobenzamide iView
3882-NitrobenzamideView
3893-NitrobenzamideView
3904-NitrobenzamideView
3913,5-DinitrobenzamideView
392N-MethylbenzamideView
393N,N-DimethylbenzamideView
394n-(1,1-Dimethyl-2-propynyl)benzamideView
3954-Methyl-N-(1,1-dimethyl-2-propynyl)benzamideView
3964-Fluoro-N-(1,1-dimethyl-2-propynyl)benzamideView
3974-Methoxy-N-(1,1-dimethyl-2-propynyl)benzamideView
3984-Chloro-N-(1,1-dimethyl-2-propynyl)benzamideView
3994-Isopropyl-N-(1,1-dimethyl-2-propynyl)benzamideView
400PronamideView
4014-Bromo-N-(1,1-dimethyl-2-propynyl)benzamideView
4023-CyanopyridineView
4034-VinylpyridineView
4042-PyridineethanolView
4052,2'-BipyridineView
406NicotineView
407ClopidolView
4083,5,6-Trichloro-2-pyridinolView
4092,6-Diamino-3-phenylazopyridineView
410NitrapyrinView
411PyroxychlorView
412Fluazifop-butylView
413FluridoneView
414MetacilView
415PirimicarbView
416AncymidolView
417FenarimolView
418Quizalofop-ethylView
419AmitrolView
420TriadimefonView
421PropiconazoleView
422ProchlorazView
423IsouronView
424ImazalilView
425FlutriafolView
426Maleic hydrazineView
427TerbacilView
428MetamitronView
429PyrazonView
430IsocilView
431Uracil MustardView
432HexazinoneView
433BromacilView
434NorflurazonView
435ThidiazuronView
436TebuthiuronView
437EtridiazoleView
438MethapyrileneView
439MethazoleView
440IsoxabenView
441OxadiazonView
442BenzotriazoleView
443Carbendazim (MBC)View
4444-n-ButylbenzotriazoleView
445BenomylView
446Fenoxaprop-ethylView
447Benzo[b]thiopheneView
448MethabenzthiazuronView
4494-FluorobenzotriazoleView
4504-MethoxybenzotriazoleView
4512-BenzothiazolethiolView
4524-ChlorobenzotriazoleView
4533,4-DichlorobenzotriazoleView
454ThiabendazoleView
455QuinomethionateView
456DibenzothiopheneView
457TricyclazoleView
458QuinolineView
459DibenzofuraneView
460CarbazoleView
4614-AzaphenanthreneView
462AcridineView
463PhenazineView
464Benz[a]acridineView
4652,2'-BiquinolineView
4667H-Dibenzo[c,g]carbazoleView
4671,2,7,8-DibenzocarbazoleView
468CyromazineView
469SimatoneView
470HydroxyatrazineView
471SimazineView
472AtratoneView
473AtrazineView
474PrometonView
475SecbumetonView
476AmetrynView
477TrietazineView
478PropazineView
479TerbuthylazineView
480PrometrynView
481CyanazineView
482TerbutrynView
483IpazineView
484DipropetrynView
485AnilazineView
486DimethoateView
487PhorateView
488TerbufosView
489MethidathionView
490Terbufos sulfoxideView
491PhosmetView
492Azinphos methylView
493DisulfotonView
494Carbophenothion-methylView
495Terbufos sulfoneView
496SulprofosView
497MalathionView
498CarbophenothionView
499PiperophosView
500PhosaloneView
501EthionView
502BensulideView
503Parathion methylView
504FenitrothionView
505FenthionView
506ParathionView
507Fensulfothion sulfideView
508DiazinonView
509Pirimiphos-methylView
510FensulfothionView
511IsazophosView
512TEDPView
513MethylchlorpyrifosView
514EPNView
515Fensulfothion sulfoneView
516IsofenphosView
517ChlorpyrifosView
518Tetrapropyl dithiopyrophosphateView
519LeptophosView
520TemephosView
521TrichlorfonView
522KitazinView
523Cumylphenyl diphenyl phosphateView
5244-Nonylphenyl diphenyl phosphateView
525ChlorfenvinphosView
526DichlorvosView
527MonocrotophosView
528Mevinphos(trans)View
529Mevinphos(cis)View
530Dicrotophos(cis)View
531PhosphamidonView
532Crotoxyphos(trans)View
533Chlorfenvinphos(trans)View
534Chlorfenvinphos(cis)View
535StirofosView
536Dimethyl 1,2-dibromo-2,2-dichloroethyl phosphateView
537MethamidophosView
538AcephateView
539DiamidafosView
540FenamiphosView
541Fenamiphos sulfoxideView
542Fenamiphos sulfoneView
543Demeton-S-methylView
544FonofosView
545EthoprophosView
546Oxydemeton methylView
547IprobenfosView
548TribuphosView
549ProfenofosView
550Methyl isothiocyanateView
551ThioacetamideView
552ThioureaView
553ChlorthiamidView
554Ethane-1,2-diyldicarbamodithioic acidView
555ThiramView
556MolinateView
557s-ethyl dipropylthiocarbamateView
558PebulateView
559VernolateView
560CycloateView
561ButylateView
562ThiobencarbView
563DiallateView
564TriallateView
565MethomylView
566AldicarbView
567Aldicarb sulfoxideView
568OxamylView
569MetribuzinView
5704,4'-ThiodianilineView
571CarboxinView
572FolpetView
573CaptanView
574SethoxydimView
575EndosulfanView
576Thiophanate-methylView
577CaptafolView
578PropargiteView
579HexythiazoxView
580ThiodicarbView
581DimethipinView
582Aldicarb sulfoneView
583AsulamView
584BentazonView
585Pentafluorophenyl methyl sufoneView
586OxycarboxinView
587EthofumesateView
588NitralinView
589ChlorosulfuronView
590Sulfometuron methylView
591Metasulfron methylView
592Thiameturon methylView
593Chlorimuron ethylView
594FomesafenView
595FormaldehydeView
5962-PropenalView
597IsophoroneView
598ChloranilView
599DiethanolaminView
6002-ButoxyethanolView
601Ethylene OxideView
6021,4-DioxaneView
603EpichlorohydrinView
604Bis(2-chloroethyl)etherView
605Bis(2-chloroisopropyl)etherView
6062,2-BioxiraneView
607Bis(2-chloroethoxy)methaneView
608AziridineView
609n-ButylamineView
610N,N'-DiethylhydrazineView
611AcetamideView
612AcrylamideView
613UreaView
614Methyl-ureaView
615TrichloroacetamideView
616DiethylacetamideView
617ChloropicrinView
6182,6-DichlorobenzonitrileView
619ChlorothalonilView
620BromoxynilView
621Bromoxynil octanoateView
622Benzyl alcoholView
6232-PhenylethanolView
624alpha-Methylbenzyl alcoholView
6251-HydroxymethylnaphthaleneView
626Ethyl 4-hydroxybenzoateView
627DiphenylmethanolView
6284-BiphenylmethanolView
629Anisole/MethoxybenzeneView
6301,2-DimethoxybenzeneView
631SafroleView
632Diphenyl etherView
6331,4-Dichloro-2,5-dimethoxybenzeneView
634CinmethylinView
635MethoxychlorView
6364-Bromophenyl phenyl etherView
637Benzaloxime-N-methylcarbamateView
6384-Chlorobenzaloxime-N-methylcarbamateView
639DiflubenzuronView
640IprodioneView
641p-AminoazobenzeneView
6424-DimethylaminoazobenzeneView
643AzobenzeneView
6441-Phenylazo-2-naphthalenolView
645DiethylstilbestrolView
6461,2-BenzenediolView
647AuramineView
648DicofolView
6494,4'-DDTView
6504,4'-DDEView
6514,4-DDDView
652AcetophenoneView
6532-Acetonaphthalene iView
654BenzophenoneView
6554-AcetylbiphenylView
656N-NitrosodiphenylamineView
6574,4Bis(dimethylamino)benzophenoneView
6583,3'-DichlorobenzidineView
659BenzidineView
6604,4'-Methylenebis(N,N'-dimethylaniline)View
6614,4'-Methylene dianilineView
6621,2-DiphenylhydrazineView
6632,3,7,8-Tetrachloro-dibenzodioxineView
6649,10-AnthracenedioneView
6651-Amino-2-methyl-9,10-anthracenedioneView
666Dibenzo[a,h]pyrene-7,14-dioneView
6679-AnthracenemethanolView
6689-AcetylanthraceneView
6692-AminoanthraceneView
6706-AminochryseneView
671ChlornitrofenView
672NitrofenView
673BifenoxView
674OxyfluorofenView
675FenoxycarbView
6762,4-dp butoxyethyl esterView
677Diclofop-methylView
6782,4-DB Butoxyethyl esterView
679PermethrinView
680CypermethrinView
681EsfenvalerateView
682CyfluthrinView
683CyhalothrinView
684FlucythrinateView
685TralomethrinView
686DiphenamidView
687TriforineView
688NapropamideView
689AmitrazView
690HydramethylnonView
691FluvalinateView
692WarfarinView
693FluorochloridoneView
694TridiphaneView
695DiphenylamineView
6961,3-IsobenzofurandioneView
6971-AminonaphthaleneView
6981-Naphthalene acetamideView
699ChlorobenzilateView
700FenvalerateView
701BifenthrinView