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:	e128
	Name:	orthocresol
	Description:
	Labels:	Validation, 2
	CAS:	95-48-7
	InChi Code:	InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
1.03	experimental value
0.7423	Tab2: Multilinear model for diverse chemicals (External validation set 2)
0.7423	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources

Link	Resource description
DTXSID8021808	US EPA CompTox Dashboard