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: | 1147 | |
|---|---|---|
| Name: | 4-chloro-2-nitroaniline | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzenamine. 4-chloro-2-nitro- The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 89-63-4 | |
| InChi Code: | InChI=1S/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.959174539 |
experimental value |
| -0.6024 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4030384 | US EPA CompTox Dashboard |