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:	e596
	Name:	4-cyano-4'-hexylbiphenyl
	Description:
	Labels:	Validation, 2
	CAS:	41122-70-7
	InChi Code:	InChI=1S/C19H21N/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(15-20)10-14-19/h7-14H,2-6H2,1H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
3.64	experimental value
2.0487	Tab2: Multilinear model for diverse chemicals (External validation set 2)
2.0487	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources

Link	Resource description
DTXSID4025404	US EPA CompTox Dashboard