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:	p12
	Name:	pentachlorophenol
	Description:
	Labels:	Validation, 1
	CAS:	87-86-5
	InChi Code:	InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
2.5	experimental value
2.2892	Tab2: Multilinear model for diverse chemicals (External validation set 1)
2.2892	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources

Link	Resource description
DTXSID7021106	US EPA CompTox Dashboard