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:1339
Name:2,6-dicyclohexylphenol
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.6-dicycloehxylphenol
Labels:
CAS:4821-19-6
InChi Code:InChI=1S/C18H26O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h7,12-15,19H,1-6,8-11H2

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.195825461

experimental value

0.0849

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

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