Papa, E.; Villa, F.; Gramatica, P. Statistically Validated QSARs, Based on Theoretical Descriptors, for Modeling Aquatic Toxicity of Organic Chemicals in Pimephales promelas (Fathead Minnow). J. Chem. Inf. Model. 2005, 45, 5, 1256–1266.

Compound

	ID:	195
	Name:	N-Phenyldiethanolamine
	Description:
	Labels:
	CAS:	120-07-0
	InChi Code:	InChI=1S/C10H15NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2

Properties

pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [log(L/mmol)]

Value	Source or prediction
2.392	experimental value
3.447	Eq9: General validated correlation, logP free (Training set)

Links to External Resources

Link	Resource description
DTXSID5021962	US EPA CompTox Dashboard