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:	272
	Name:	N-Allylaniline
	Description:
	Labels:
	CAS:	589-09-3
	InChi Code:	InChI=1S/C9H11N/c1-2-8-10-9-6-4-3-5-7-9/h2-7,10H,1,8H2

Properties

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

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

Links to External Resources

Link	Resource description
DTXSID5022065	US EPA CompTox Dashboard