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:	314
	Name:	1-chloro-2-[(1R)-2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: o.p'-DDT
	Labels:
	CAS:	789-02-6
	InChi Code:	InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H/t13-/m1/s1

Properties

M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)

Value	Source or prediction
-2.85	experimental value
-2.5727	Tab2.Model_4: EDC estrogen receptor binding (Training set)

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
1.710825461	experimental value
2.2876	Tab2.Model_5: Metab. biotransf. fish (Training set)