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:	710
	Name:	1,2-dichloro-4-nitrobenzene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Benzene. 1.2-dichloro-4-nitro- The representation of nitro groups was fixed
	Labels:
	CAS:	99-54-7
	InChi Code:	InChI=1S/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H

Properties

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

Value	Source or prediction
2.53	experimental value
2.4312	Tab2.Model_2: logKoc (Training set)

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-0.269174539	experimental value
0.0757	Tab2.Model_5: Metab. biotransf. fish (Training set)

Links to External Resources

Link	Resource description
DTXSID8024999	US EPA CompTox Dashboard