10967/177 - QDB Compounds

QsarDB Repository

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

ValueSource or prediction
1.400825461

experimental value

1.1735

Tab2.Model_5: Metab. biotransf. fish (Training set)