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: | 1203 | |
|---|---|---|
| Name: | 4-chloro-1-nitro-2-(trifluoromethyl)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-chloro-1-nitro-2(trifluoromethyl)benzene The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 118-83-2 | |
| InChi Code: | InChI=1S/C7H3ClF3NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.364174539 |
experimental value |
| 0.4234 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID30151998 | US EPA CompTox Dashboard |