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:	341
	Name:	Methyl 4-cyanobenzoate
	Description:
	Labels:
	CAS:	1129-35-7
	InChi Code:	InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,1H3

Properties

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

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

Links to External Resources

Link	Resource description
DTXSID9022150	US EPA CompTox Dashboard