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:	p318
	Name:	p-chloronitrobenzene
	Description:
	Labels:	Validation, 1
	CAS:	100-00-5
	InChi Code:	InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
1.11	experimental value
1.6880	Tab2: Multilinear model for diverse chemicals (External validation set 1)
1.6880	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources

Link	Resource description
DTXSID5020281	US EPA CompTox Dashboard