Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR QSAR Environ. Res. 2010, 21, 7-8, 711-729.

Compound

	ID:	t249
	Name:	1,2,3,4,5-pentabromo-6-chlorocyclohexane
	Description:
	Labels:	Training
	CAS:	87-84-3
	InChi Code:	InChI=1S/C6H6Br5Cl/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
2.41	experimental value
2.9848	Tab2: Multilinear model for diverse chemicals (Training set)
2.9848	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

Links to External Resources

Link	Resource description
DTXSID4025828	US EPA CompTox Dashboard