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:1347
Name:1,2,3,4,5,6,7,8-octahydrophenanthrene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.2.3.4.5.6.7.8-octahydrophenanthrene
Labels:
CAS:5325-97-3
InChi Code:InChI=1S/C14H18/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h9-10H,1-8H2

Properties

M5.logHLn: Biotransformation half-lives in fish

ValueSource or prediction
0.760825461

experimental value

0.8544

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

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