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: | 1276 | |
|---|---|---|
| Name: | 1,2,3,4,5-pentachloro-6-methylbenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Pentachloromethyl benzene | |
| Labels: | ||
| CAS: | 877-11-2 | |
| InChi Code: | InChI=1S/C7H3Cl5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3 |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| 1.400825461 |
experimental value |
| 1.1735 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |