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:	t296
	Name:	m-phenylenediamine
	Description:
	Labels:	Training
	CAS:	108-45-2
	InChi Code:	InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
0.38	experimental value
0.4059	Tab2: Multilinear model for diverse chemicals (Training set)
0.4059	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (Training set)

Links to External Resources

Link	Resource description
DTXSID4021137	US EPA CompTox Dashboard