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:1511
Name:2,3,4,4',5-pentachloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.3.4.4'.5-pentachlorobiphenyl
Labels:
CAS:74472-37-0
InChi Code:InChI=1S/C12H5Cl5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.364158761

experimental value

2.1003

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

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