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:	p40
	Name:	benz[a]anthracene
	Description:
	Labels:	Validation, 1
	CAS:	56-55-3
	InChi Code:	InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
2.54	experimental value
3.7964	Tab2: Multilinear model for diverse chemicals (External validation set 1)
3.7964	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources

Link	Resource description
DTXSID5023902	US EPA CompTox Dashboard