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:	1426
	Name:	1,3,5-tribromo-2-[(2S)-2,3-dibromo-2-methylpropoxy]benzene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.4.6-tribromophenyl(2-methyl-2.3-dibromopropyl)
	Labels:
	CAS:	36065-30-2
	InChi Code:	InChI=1S/C10H9Br5O/c1-10(15,4-11)5-16-9-7(13)2-6(12)3-8(9)14/h2-3H,4-5H2,1H3/t10-/m1/s1

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
2.210825461	experimental value
1.1337	Tab2.Model_5: Metab. biotransf. fish (Training set)