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:	p395
	Name:	3-nitrophthalic acid
	Description:
	Labels:	Validation, 1
	CAS:	603-11-2
	InChi Code:	InChI=1S/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13)

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
0.72	experimental value
0.5991	Tab2: Multilinear model for diverse chemicals (External validation set 1)
0.5991	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources

Link	Resource description
DTXSID9060528	US EPA CompTox Dashboard