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:	1121
	Name:	1-chloro-2-[(1S)-2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: o.p'-DDD
	Labels:
	CAS:	53-19-0
	InChi Code:	InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H/t13-/m0/s1

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
1.650825461	experimental value
2.0945	Tab2.Model_5: Metab. biotransf. fish (Training set)