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:1153
Name:1,1'-bi(cyclohexane)
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Bicyclohexyl
Labels:
CAS:92-51-3
InChi Code:InChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.380825461

experimental value

0.7187

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

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