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:1457
Name:2,2',3,4,4',5',6-heptachloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.3.4.4'.5'.6-heptachlorobiphenyl
Labels:
CAS:52663-69-1
InChi Code:InChI=1S/C12H3Cl7/c13-5-2-7(15)6(14)1-4(5)10-8(16)3-9(17)11(18)12(10)19/h1-3H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.590825461

experimental value

2.4893

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

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