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:	e513
	Name:	kitazine
	Description:
	Labels:	Validation, 2
	CAS:	13286-32-3
	InChi Code:	InChI=1S/C11H17O3PS/c1-3-13-15(12,14-4-2)16-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
1.51	experimental value
0.6478	Tab2: Multilinear model for diverse chemicals (External validation set 2)
0.6478	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources

Link	Resource description
DTXSID0074502	US EPA CompTox Dashboard