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:	t313
	Name:	nitrobenzene
	Description:
	Labels:	Training
	CAS:	98-95-3
	InChi Code:	InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
0.67	experimental value
1.2173	Tab2: Multilinear model for diverse chemicals (Training set)
1.2173	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

Links to External Resources

Link	Resource description
DTXSID3020964	US EPA CompTox Dashboard