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:	t201
	Name:	pentachlorobenzene
	Description:
	Labels:	Training
	CAS:	608-93-5
	InChi Code:	InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
3.49	experimental value
3.2178	Tab2: Multilinear model for diverse chemicals (Training set)
3.2178	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

Links to External Resources

Link	Resource description
DTXSID7024247	US EPA CompTox Dashboard