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:	981
	Name:	methyl 3-amino-2,5-dichlorobenzoate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Chloramben methyl
	Labels:
	CAS:	7286-84-2
	InChi Code:	InChI=1S/C8H7Cl2NO2/c1-13-8(12)5-2-4(9)3-6(11)7(5)10/h2-3H,11H2,1H3

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

Value	Source or prediction
2.74	experimental value
1.9868	Tab2.Model_2: logKoc (Training set)

Links to External Resources

Link	Resource description
DTXSID1041762	US EPA CompTox Dashboard