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:	p278
	Name:	2-nitropropane
	Description:
	Labels:	Validation, 1
	CAS:	79-46-9
	InChi Code:	InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
0.92	experimental value
0.9391	Tab2: Multilinear model for diverse chemicals (External validation set 1)
0.9391	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources

Link	Resource description
DTXSID6020981	US EPA CompTox Dashboard