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:	t64
	Name:	pentaerythritol
	Description:
	Labels:	Training
	CAS:	115-77-5
	InChi Code:	InChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
0.1	experimental value
-0.1636	Tab2: Multilinear model for diverse chemicals (Training set)
-0.1636	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

Links to External Resources

Link	Resource description
DTXSID2026943	US EPA CompTox Dashboard