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:	e382
	Name:	2,4,5-trichloroaniline
	Description:
	Labels:	Validation, 2
	CAS:	636-30-6
	InChi Code:	InChI=1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
2.33	experimental value
1.7381	Tab2: Multilinear model for diverse chemicals (External validation set 2)
1.7381	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources

Link	Resource description
DTXSID5044152	US EPA CompTox Dashboard