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: | 1298 | |
|---|---|---|
| Name: | 4-methyl-3-nitrophenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-nitro-p-cresol The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 2042-14-0 | |
| InChi Code: | InChI=1S/C7H7NO3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.799174539 |
experimental value |
| -0.9901 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |