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:	p337
	Name:	1,3-dicyanobenzene
	Description:
	Labels:	Validation, 1
	CAS:	626-17-5
	InChi Code:	InChI=1S/C8H4N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
0.75	experimental value
0.8733	Tab2: Multilinear model for diverse chemicals (External validation set 1)
0.8733	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources

Link	Resource description
DTXSID7027259	US EPA CompTox Dashboard