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:1281
Name:9-chlorophenanthrene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 9-chlorophenanthrene
Labels:
CAS:947-72-8
InChi Code:InChI=1S/C14H9Cl/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.795825461

experimental value

0.8207

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

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