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:	p280
	Name:	triethanolamine
	Description:
	Labels:	Validation, 1
	CAS:	102-71-6
	InChi Code:	InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2

Properties

LogBCF: Fish bioconcentration factor as logBCF

Value	Source or prediction
0.59	experimental value
-0.1672	Tab2: Multilinear model for diverse chemicals (External validation set 1)
-0.1672	Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 1)

Links to External Resources

Link	Resource description
DTXSID9021392	US EPA CompTox Dashboard