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:1509
Name:2,3,3',6-tetrachloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.3.3'.6-tetrachlorobiphenyl
Labels:
CAS:74472-33-6
InChi Code:InChI=1S/C12H6Cl4/c13-8-3-1-2-7(6-8)11-9(14)4-5-10(15)12(11)16/h1-6H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.470825461

experimental value

1.9057

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

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