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:	t214
	Name:	hexachlorobutadiene
	Description:
	Labels:	Training
	CAS:	87-68-3
	InChi Code:	InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
3.35	experimental value
3.5574	Tab2: Multilinear model for diverse chemicals (Training set)
3.5574	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

Links to External Resources

Link	Resource description
DTXSID7020683	US EPA CompTox Dashboard