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:1234
Name:1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Naphthalene. decahydro- (trans)
Labels:
CAS:493-02-7
InChi Code:InChI=1/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
1.500825461

experimental value

0.4304

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