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:	e335
	Name:	antinonnin
	Description:
	Labels:	Validation, 2
	CAS:	534-52-1
	InChi Code:	InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
0.16	experimental value
1.0343	Tab2: Multilinear model for diverse chemicals (External validation set 2)
1.0343	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources

Link	Resource description
DTXSID1022053	US EPA CompTox Dashboard