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:1452
Name:(3R,5S)-1,1,3,5-tetramethylcyclohexane
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Cis 1.1.3.5 tetramethyl cyclohexane
Labels:
CAS:50876-32-9
InChi Code:InChI=1S/C10H20/c1-8-5-9(2)7-10(3,4)6-8/h8-9H,5-7H2,1-4H3/t8-,9+

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
2.180825461

experimental value

0.3223

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