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:	1341
	Name:	(1E,5E,9E)-cyclododeca-1,5,9-triene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.5.9-cyclododecatriene
	Labels:
	CAS:	4904-61-4
	InChi Code:	InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1+,9-7+,10-8+

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
1.740825461	experimental value
1.5881	Tab2.Model_5: Metab. biotransf. fish (Training set)