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:	1372
	Name:	(1S,3Z,4R)-1,7,7-trimethyl-3-(phenylmethylidene)bicyclo[2.2.1]heptan-2-one
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Benzylidene camphor
	Labels:
	CAS:	15087-24-8
	InChi Code:	InChI=1S/C17H20O/c1-16(2)14-9-10-17(16,3)15(18)13(14)11-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3/b13-11-/t14-,17+/m0/s1

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-0.209174539	experimental value
-0.0809	Tab2.Model_5: Metab. biotransf. fish (Training set)