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:	t41
	Name:	chrysene
	Description:
	Labels:	Training
	CAS:	218-01-9
	InChi Code:	InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
2.24	experimental value
3.8167	Tab2: Multilinear model for diverse chemicals (Training set)
3.8167	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

Links to External Resources

Link	Resource description
DTXSID0022432	US EPA CompTox Dashboard