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:	e165
	Name:	1,3-dinitrobenzene
	Description:
	Labels:	Validation, 2
	CAS:	99-65-0
	InChi Code:	InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
0.77	experimental value
1.4446	Tab2: Multilinear model for diverse chemicals (External validation set 2)
1.4446	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources

Link	Resource description
DTXSID9024065	US EPA CompTox Dashboard