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:1290
Name:1-chloro-4-(prop-1-en-2-yl)benzene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-isopropenyl-chlorobenzene
Labels:
CAS:1712-70-5
InChi Code:InChI=1S/C9H9Cl/c1-7(2)8-3-5-9(10)6-4-8/h3-6H,1H2,2H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.295825461

experimental value

0.6394

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

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