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:	t336
	Name:	terephthalonitrile
	Description:
	Labels:	Training
	CAS:	623-26-7
	InChi Code:	InChI=1S/C8H4N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
0.24	experimental value
0.8347	Tab2: Multilinear model for diverse chemicals (Training set)
0.8347	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

Links to External Resources

Link	Resource description
DTXSID1060768	US EPA CompTox Dashboard