Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 924 | |
|---|---|---|
| Name: | 2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,6-dinitro-N-n-propyl-trifluoro-p-toluidine The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 2077-99-8 | |
| InChi Code: | InChI=1S/C10H10F3N3O4/c1-2-3-14-9-7(15(17)18)4-6(10(11,12)13)5-8(9)16(19)20/h4-5,14H,2-3H2,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.61 |
experimental value |
| 2.82 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID90174840 | US EPA CompTox Dashboard |