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:	t380
	Name:	2-mercaptobenzothiazole
	Description:
	Labels:	Training
	CAS:	149-30-4
	InChi Code:	InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
0.9	experimental value
1.5206	Tab2: Multilinear model for diverse chemicals (Training set)
1.5206	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

Links to External Resources

Link	Resource description
DTXSID1020807	US EPA CompTox Dashboard