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:1503
Name:2,2',3,6-tetrachloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.3.6-tetrachlorobiphenyl
Labels:
CAS:70362-45-7
InChi Code:InChI=1S/C12H6Cl4/c13-8-4-2-1-3-7(8)11-9(14)5-6-10(15)12(11)16/h1-6H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.384158761

experimental value

1.9097

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

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