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:	e197
	Name:	4-chloroaniline
	Description:
	Labels:	Validation, 2
	CAS:	106-47-8
	InChi Code:	InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
0.23	experimental value
0.8081	Tab2: Multilinear model for diverse chemicals (External validation set 2)
0.8081	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources

Link	Resource description
DTXSID9020295	US EPA CompTox Dashboard