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:1420
Name:2,5-dichloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.5-Dichloro-1.1'-biphenyl
Labels:
CAS:34883-39-1
InChi Code:InChI=1S/C12H8Cl2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.375825461

experimental value

1.4774

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

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