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:	t39
	Name:	triphenylene
	Description:
	Labels:	Training
	CAS:	217-59-4
	InChi Code:	InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
2.41	experimental value
3.9271	Tab2: Multilinear model for diverse chemicals (Training set)
3.9271	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

Links to External Resources

Link	Resource description
DTXSID9059757	US EPA CompTox Dashboard