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:	200
	Name:	1,2,3-tribromo-5-(3,4-dibromophenoxy)benzene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 3,3',4,4',5-pentaBDE
	Labels:
	CAS:	366791-32-4
	InChi Code:	InChI=1S/C12H5Br5O/c13-8-2-1-6(3-9(8)14)18-7-4-10(15)12(17)11(16)5-7/h1-5H

Properties

M9.logKoa: Octanol-air partition coefficient as log(Koa)

Value	Source or prediction
11.97	experimental value
11.1984	Tab2.Model_9: BFR logKoa (Training set)

Links to External Resources

Link	Resource description
DTXSID50573491	US EPA CompTox Dashboard