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:1294
Name:1,4-dichloronaphthalene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.4-dichloronaphthalene
Labels:
CAS:1825-31-6
InChi Code:InChI=1S/C10H6Cl2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.370825461

experimental value

0.891

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

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