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:	e84
	Name:	scarlet red
	Description:
	Labels:	Validation, 2
	CAS:	85-83-6
	InChi Code:	InChI=1S/C24H20N4O/c1-16-7-3-6-10-21(16)26-25-19-12-13-22(17(2)15-19)27-28-24-20-9-5-4-8-18(20)11-14-23(24)29/h3-15,29H,1-2H3/b26-25+,28-27+

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
0.75	experimental value
1.7120	Tab2: Multilinear model for diverse chemicals (External validation set 2)
1.7120	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)

Links to External Resources

Link	Resource description
DTXSID8041743	US EPA CompTox Dashboard