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:	e89
	Name:	2,4,6-trichloroanisole
	Description:
	Labels:	Validation, 2
	CAS:	87-40-1
	InChi Code:	InChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
2.81	experimental value
2.0214	Tab2: Multilinear model for diverse chemicals (External validation set 2)
2.0214	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources

Link	Resource description
DTXSID9073886	US EPA CompTox Dashboard