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:	815
	Name:	2,3,4,5,6-pentachloroaniline
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Pentachloroaniline
	Labels:
	CAS:	527-20-8
	InChi Code:	InChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2

Properties

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

Value	Source or prediction
4.62	experimental value
3.103	Tab2.Model_2: logKoc (Training set)

Links to External Resources

Link	Resource description
DTXSID4037584	US EPA CompTox Dashboard