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:	p332
	Name:	4-nitro-m-cresol
	Description:
	Labels:	Validation, 1
	CAS:	2581-34-2
	InChi Code:	InChI=1S/C7H7NO3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
1.06	experimental value
0.6976	Tab2: Multilinear model for diverse chemicals (External validation set 1)
0.6976	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources

Link	Resource description
DTXSID2062535	US EPA CompTox Dashboard