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:	e565
	Name:	benthiocarb
	Description:
	Labels:	Validation, 2
	CAS:	28249-77-6
	InChi Code:	InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
2.36	experimental value
1.7243	Tab2: Multilinear model for diverse chemicals (External validation set 2)
1.7243	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources

Link	Resource description
DTXSID6024337	US EPA CompTox Dashboard