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:	1140
	Name:	1,2,3,4,5-pentabromo-6-methylbenzene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Pentabromomethylbenzene
	Labels:
	CAS:	87-83-2
	InChi Code:	InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-0.129174539	experimental value
1.1651	Tab2.Model_5: Metab. biotransf. fish (Training set)

Links to External Resources

Link	Resource description
DTXSID3025833	US EPA CompTox Dashboard