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:	e437
	Name:	tartrazine
	Description:
	Labels:	Validation, 2
	CAS:	1934-21-0
	InChi Code:	InChI=1S/C16H12N4O9S2/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29)/b18-17+

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
-0.03	experimental value
0.9511	Tab2: Multilinear model for diverse chemicals (External validation set 2)
0.9511	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2)