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:1325
Name:(2-cyclohexylethyl)cyclohexane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Cyclohexane. 1.1'-(1.2-ethanediyl)bis-
Labels:
CAS:3321-50-4
InChi Code:InChI=1S/C14H26/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h13-14H,1-12H2

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.130825461

experimental value

0.9624

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