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:	1304
	Name:	(2S,4aS,4bS,8aR,10aS)-2-(propan-2-yl)-tetradecahydrophenanthrene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Isopropyl hydrophenanthrene (Fichtelite)
	Labels:
	CAS:	2221-95-6
	InChi Code:	InChI=1S/C17H30/c1-12(2)14-9-10-17-15(11-14)8-7-13-5-3-4-6-16(13)17/h12-17H,3-11H2,1-2H3/t13-,14+,15+,16+,17+/m1/s1

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
1.520825461	experimental value
1.1562	Tab2.Model_5: Metab. biotransf. fish (Training set)