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:	t314
	Name:	o-nitrotoluene
	Description:
	Labels:	Training
	CAS:	88-72-2
	InChi Code:	InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
1.26	experimental value
1.2426	Tab2: Multilinear model for diverse chemicals (Training set)
1.2426	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

Links to External Resources

Link	Resource description
DTXSID4025791	US EPA CompTox Dashboard