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:	p21
	Name:	2,3-dimethylnaphthalene
	Description:
	Labels:	Validation, 1
	CAS:	581-40-8
	InChi Code:	InChI=1S/C12H12/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-8H,1-2H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
2.71	experimental value
2.5306	Tab2: Multilinear model for diverse chemicals (External validation set 1)
2.5306	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources

Link	Resource description
DTXSID2060383	US EPA CompTox Dashboard