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:	e104
	Name:	picric acid
	Description:
	Labels:	Validation, 2
	CAS:	88-89-1
	InChi Code:	InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
-0.14	experimental value
1.2852	Tab2: Multilinear model for diverse chemicals (External validation set 2)
1.2852	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources

Link	Resource description
DTXSID4025909	US EPA CompTox Dashboard