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:	t58
	Name:	isoprene
	Description:
	Labels:	Training
	CAS:	78-79-5
	InChi Code:	InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
1.11	experimental value
1.3070	Tab2: Multilinear model for diverse chemicals (Training set)
1.3070	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

Links to External Resources

Link	Resource description
DTXSID2020761	US EPA CompTox Dashboard