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:	e539
	Name:	1,3,5-trichloro-2-nitrobenzene
	Description:
	Labels:	Validation, 2
	CAS:	18708-70-8
	InChi Code:	InChI=1S/C6H2Cl3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
2.52	experimental value
2.3987	Tab2: Multilinear model for diverse chemicals (External validation set 2)
2.3987	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources

Link	Resource description
DTXSID0026204	US EPA CompTox Dashboard