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: | 1387 | |
|---|---|---|
| Name: | 1,2,3-trichloro-4-nitrobenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.2.3-Trichloro-4-nitrobenzene The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 17700-09-3 | |
| InChi Code: | InChI=1S/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.189174539 |
experimental value |
| 0.2932 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0026202 | US EPA CompTox Dashboard |