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:	1387
	Name:	1,2,3-trichloro-4-nitrobenzene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 1.2.3-Trichloro-4-nitrobenzene The representation of nitro groups was fixed
	Labels:
	CAS:	17700-09-3
	InChi Code:	InChI=1S/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-0.189174539	experimental value
0.2932	Tab2.Model_5: Metab. biotransf. fish (Training set)

Links to External Resources

Link	Resource description
DTXSID0026202	US EPA CompTox Dashboard