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:	1530
	Name:	1,2,3-tribromo-4-(2,4,5-tribromophenoxy)benzene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2.2'.3.4.4'.5'-Hexabromodiphenyl ether (BDE 138)
	Labels:
	CAS:	182677-30-1
	InChi Code:	InChI=1S/C12H4Br6O/c13-5-1-2-9(12(18)11(5)17)19-10-4-7(15)6(14)3-8(10)16/h1-4H

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
1.554046583	experimental value
1.4993	Tab2.Model_5: Metab. biotransf. fish (Training set)