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:1275
Name:1,2,4,5-tetrachloro-3,6-dimethylbenzene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.2.4.5-Tetrachloro-3.6-dimethylbenzene
Labels:
CAS:877-10-1
InChi Code:InChI=1S/C8H6Cl4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.120825461

experimental value

1.0642

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

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