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:	e529
	Name:	alachlor
	Description:
	Labels:	Validation, 2
	CAS:	15972-60-8
	InChi Code:	InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
1.12	experimental value
1.3192	Tab2: Multilinear model for diverse chemicals (External validation set 2)
1.3192	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources

Link	Resource description
DTXSID1022265	US EPA CompTox Dashboard