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:	t38
	Name:	1-methylpyrene
	Description:
	Labels:	Training
	CAS:	2381-21-7
	InChi Code:	InChI=1S/C17H12/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13/h2-10H,1H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
2.73	experimental value
3.5741	Tab2: Multilinear model for diverse chemicals (Training set)
3.5741	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

Links to External Resources

Link	Resource description
DTXSID0025654	US EPA CompTox Dashboard