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:1292
Name:octylcyclohexane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: n - Octyl Cyclohexane
Labels:
CAS:1795-15-9
InChi Code:InChI=1S/C14H28/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h14H,2-13H2,1H3

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.100825461

experimental value

0.8682

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

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