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:	e435
	Name:	chlorothalonil
	Description:
	Labels:	Validation, 2
	CAS:	1897-45-6
	InChi Code:	InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
1.12	experimental value
1.9012	Tab2: Multilinear model for diverse chemicals (External validation set 2)
1.9012	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources

Link	Resource description
DTXSID0020319	US EPA CompTox Dashboard