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:1395
Name:1,2,3,4-tetrachloronaphthalene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.2.3.4-tetrachloronaphthalene
Labels:
CAS:20020-02-4
InChi Code:InChI=1S/C10H4Cl4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.200825461

experimental value

0.9387

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

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