Gramatica, P.; Papa, E. An Update of the BCF QSAR Model Based on Theoretical Molecular Descriptors. QSAR Comb. Sci. 2005, 24, 8, 935–960.

238 compounds

ID	Name	Details
1	1,2-Dichloroethane	View
2	Trichloromethane	View
3	1,1,2,2-Tetrachloroethane	View
4	Trichloroethylene	View
5	1,1,1-Trichloroethane	View
6	Tetrachloroethylene	View
7	Tetrachloromethane	View
8	Pentachloroethane	View
9	Hexachloroethane	View
10	1,1,2,3,4,4-Hexachloro-1,3-Butadiene	View
11	Benzene	View
12	Toluene	View
13	Styrene	View
15	o-Xylene	View
17	p-Xylene	View
18	p-Methylstyrene	View
20	Isopropylbenzene	View
21	2-Phenyldodecane	View
22	Octachlorostyrene	View
23	Naphthalene	View
24	Acenaphthylene	View
25	Acenaphthalene	View
26	Biphenyl	View
27	Anthracene	View
28	2-Methylnaphthalene	View
29	Fluorene	View
31	Benzo[a]pyrene	View
32	Pyrene	View
34	2-Chlorophenanthrene	View
35	9-Methylanthracene	View
36	Benzo[a]anthracene	View
38	1,2-Dichlorobenzene	View
39	1,4-Dichlorobenzene	View
40	1,3-Dichlorobenzene	View
41	1,2,3-Trichlorobenzene	View
42	1,2,4-Trichlorobenzene	View
43	1,2,3,5-Tetrachlorobenzene	View
44	1,3,5-Trichlorobenzene	View
45	1,2,4,5-Tetrachlorobenzene	View
47	Pentachlorobenzene	View
48	2,4,5-Trichlorotoluene	View
49	Hexachlorobenzene	View
50	Bromobenzene	View
51	1,3-Dibromobenzene	View
52	1,4-Dibromobenzene	View
53	Hexabromobenzene	View
54	1,2-Dibromobenzene	View
55	1,2,4-Tribromobenzene	View
56	1,2,4,5-Tetrabromobenzene	View
57	1,3,5-Tribromobenzene	View
58	Octachloronaphthalene	View
60	2-Monochloronaphthalene	View
61	1,8-Dichloronaphthalene	View
62	2,3-Dichloronaphthalene	View
64	1,2,3,4-Tetrachloronaphthalene	View
65	1,3,5,8-Tetrachloronaphthalene	View
66	1,3,7-Trichloronaphthalene	View
69	2,2'-Dichlorobiphenyl	View
70	4,4'-Dichlorobiphenyl	View
71	2,2',4,4',6-Pentachlorobiphenyl	View
72	2,4'-Dichlorobiphenyl	View
74	3,5-Dichlorobiphenyl	View
75	2,2',6,6'-Tetrachlorobiphenyl	View
76	3,3',4,4'-Tetrachlorobiphenyl	View
79	2,2',3,3',4,4',5,5',6,6'-Decachlorobiphenyl	View
84	2,4,4'-Trichlorobiphenyl	View
86	2,2',4,4',5,5'-Hexachlorobiphenyl	View
89	2,2',5,5'-Tetrachlorobiphenyl	View
90	2,2',4,4',6,6'-Hexachlorobiphenyl	View
92	2,2',3,3',4,4',5,5'-Octachlorobiphenyl	View
93	2,2',3,4,5'-pentachlorobiphenyl	View
96	2,2',3,3',6,6'-Hexachlorobiphenyl	View
98	2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl	View
102	2,2',3,3',5,5',6,6'-Octachlorobiphenyl	View
105	2,2',3,3',4,5,5',6-Octachlorobiphenyl	View
107	2,2',3,4,5,5',6'-Heptachlorobiphenyl	View
108	3,3',4,4',5,5'-Hexachlorobiphenyl	View
109	2,4,6-Tribromobiphenyl	View
110	2,2',4,4',6,6'-Hexabromobiphenyl	View
111	4,4'-Dibromobiphenyl	View
112	2,2',5,5'-Tetrabromobiphenyl	View
114	1,2,4-Trichlorodibenzo-p-dioxin	View
115	1,2,3,4-tetrachlorodibenzo-p-dioxin	View
116	Octachlorodibenzo-p-dioxin	View
117	2,8-Dichlorodibenzo-p-dioxin	View
118	1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin	View
119	1,2,3,4,7-Pentachlorodibenzo-p-dioxin	View
121	1,3,6,8-Tetrachlorodibenzo-p-dioxin	View
123	Dibenzo(1,4)dioxan	View
124	2,3,7,8-Tetrachlorodibenzo-p-dioxin	View
127	Octachlorodibenzofuran	View
128	Dibenzofuran	View
129	2,3,7,8-Tetrachlorodibenzofuran	View
130	1,2,3,4,6,7,8-Heptachlorodibenzofuran	View
131	2,3,4,7,8-Pentachlorodibenzofuran	View
132	4-Cyanophenol	View
137	4-Bromophenol	View
138	p-sec-Butyl phenol	View
139	Hydroquinone	View
140	2,6-Dibromo-4-Cyanophenol	View
141	4,6-Dichloroguaiacol	View
142	4-t-Butyl phenol	View
144	4,5-Dichloroguaiacol	View
145	2,3,5,6-Tetrachlorophenol	View
146	2,4-Dimethylphenol	View
147	2-Chlorophenol	View
149	2,4,6-Trichlorophenol	View
150	p-Nonyl phenol	View
151	Tetrachloroguaiacol	View
152	2,4,6-Tribromophenol	View
153	Pentachlorophenol	View
154	p-Dodecyl phenol	View
155	4-Chloroaniline	View
156	3-Chloroaniline	View
157	Aniline	View
159	Diphenylamine	View
160	3,4-Dichloroaniline	View
162	N-Phenyl-2-naphthylamine	View
165	2,3,4,5-Tetrachloroaniline	View
168	3,3'-Dichlorobenzidine	View
169	2,3,5,6-Tetrachloroaniline	View
171	Ethyl acetate	View
172	Dimethyl phthalate	View
173	Diethyl phthalate	View
174	Bis(2-ethylhexyl)phthalate	View
175	Deltamethrin	View
176	Fenvalerate	View
177	Benzyl butyl phthalate	View
178	Cypermethrin	View
179	Permethrin	View
180	2-t-Butoxy ethanol	View
181	t-Butyl methyl ether	View
182	t-Butyl isopropyl ether	View
183	Bis(2-chloroethyl)ether	View
184	2,4,6-Trichloroanisole	View
185	2,4,6-Tribromoanisole	View
186	Methoxychlor	View
187	2,4,5-Trichlorodiphenyl ether	View
188	3,3',4,4'-Tetrachlorodiphenyl ether	View
189	2-Methyl-4,6-Dinitrophenol	View
193	3-Nitrophenol	View
194	2-Nitrophenol	View
198	4-Chloronitrobenzene	View
199	2,5-Dichloronitrobenzene	View
204	2,3,4-Trichloronitrobenzene	View
205	3,5-Dichloronitrobenzene	View
206	Pentachloronitrobenzene	View
207	2,4,6-Trichloronitrobenzene	View
208	Chlornitrofen	View
209	2,3,5,6-Tetrachloronitrobenzene	View
210	IBP	View
211	Phenthoate	View
212	Diazinon	View
213	Fenitrothion	View
214	Isofenphos	View
215	Disulfoton	View
216	Fenthion	View
217	EPN	View
218	Chlorpyriphos	View
219	Leptophos	View
220	5-Bromoindole	View
221	Carbaryl	View
222	Molinate	View
223	BPMC	View
224	Acrylonitrile	View
225	Thiobencarb	View
226	Acridine	View
227	Lindane	View
228	beta-BHC	View
229	alpha-BHC	View
230	Hexachlorocyclopentadiene	View
231	Xanthene	View
232	Dieldrin	View
233	Heptachlor	View
234	Heptachlor epoxide	View
235	o,p'-DDT	View
236	Chlordane	View
237	p,p'-DDE	View
238	p,p'-DDT	View
14	Ethylbenzene	View
16	m-Xylene	View
19	m-Methylstyrene	View
30	Phenanthrene	View
33	2-Methylphenanthrene	View
37	Chlorobenzene	View
46	1,2,3,4-Tetrachlorobenzene	View
59	1,4-Dichloronaphthalene	View
63	2,7-Dichloronaphthalene	View
67	1,3,5,7-Tetrachloronaphthalene	View
68	4-Chlorobiphenyl	View
73	2,4',5-Trichlorobiphenyl	View
77	2,2',4,4'-Tetrachlorobiphenyl	View
78	2,4,5-Trichlorobiphenyl	View
80	2,5-Dichlorobiphenyl	View
81	2,2',3,3'-Tetrachlorobiphenyl	View
82	2,3-Dichlorobiphenyl	View
83	2,2',5-Trichlorobiphenyl	View
85	2,3',4',5-Tetrachlorobiphenyl	View
87	2,2',3,5'-Tetrachlorobiphenyl	View
88	2,2',4,5'-Tetrachlorobiphenyl	View
91	2,2',4,5-Tetrachlorobiphenyl	View
94	2,2',4,5,5'-Pentachlorobiphenyl	View
95	2,2',3',4,5-Pentachlorobiphenyl	View
97	2,2',3,5,5',6'-Hexachlorobiphenyl	View
99	2,2',3,3',4,4'-Hexachlorobiphenyl	View
100	3,3',4,4',5-Pentachlorobiphenyl	View
101	2,2',3,4,5,5'-Hexachlorobiphenyl	View
103	2,2',3,4,4',5',6-Heptachlorobiphenyl	View
104	2,2',3,4,4',5-Hexachlorobiphenyl	View
106	2,2',3,3',4,4',5,6-Octachlorobiphenyl	View
113	2,7-Dichlorodibenzo-p-dioxin	View
120	1,2,3,7-Tetrachlorodibenzo-p-dioxin	View
122	1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin	View
125	1,2,3,7,8-Pentachlorodibenzo-p-dioxin	View
126	Benzo[b]furan	View
133	2-Methyl phenol	View
134	Phenol	View
135	3-Chlorophenol	View
136	2,4-Dichlorophenol	View
143	4,5,6-Trichloroguaiacol	View
148	3,4,5-Trichloroguaiacol	View
158	2-Chloroaniline	View
161	2,4-Dichloroaniline	View
163	2,3,4-Trichloroaniline	View
164	2,4,5-Trichloroaniline	View
166	3,4,5-Trichloroaniline	View
167	2,4,6-Trichloroaniline	View
170	2,3,4,5,6-Pentachloroaniline	View
190	4-Nitroaniline	View
191	2-Nitroaniline	View
192	3-Nitroaniline	View
195	2,4,5-Trichloronitrobenzene	View
196	3-Chloronitrobenzene	View
197	2,3,4,5-Tetrachloronitrobenzene	View
200	2,4-Dichloronitrobenzene	View
201	3,4-Dichloronitrobenzene	View
202	2-Chloronitrobenzene	View
203	2,3-Dichloronitrobenzene	View

10967/110 - QDB Compounds

QsarDB Repository

Gramatica, P.; Papa, E. An Update of the BCF QSAR Model Based on Theoretical Molecular Descriptors. QSAR Comb. Sci. 2005, 24, 8, 935–960.

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