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:	772
	Name:	3-amino-2,5-dichlorobenzoic acid
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Chlorambed
	Labels:
	CAS:	133-90-4
	InChi Code:	InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)

Properties

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

Value	Source or prediction
1.4	experimental value
1.8467	Tab2.Model_2: logKoc (Training set)

Links to External Resources

Link	Resource description
DTXSID2020262	US EPA CompTox Dashboard