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:	1177
	Name:	4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzenamine. 4.4-methylenebis[2-chloro-
	Labels:
	CAS:	101-14-4
	InChi Code:	InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-0.154174539	experimental value
0.67	Tab2.Model_5: Metab. biotransf. fish (Training set)