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:	1229
	Name:	(1S,2S,7R,10S,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Androstane
	Labels:
	CAS:	438-22-2
	InChi Code:	InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14-,15+,16+,17+,18+,19+/m1/s1

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
1.670825461	experimental value
1.299	Tab2.Model_5: Metab. biotransf. fish (Training set)