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:	137
	Name:	Chloroacetonitrile
	Description:
	Labels:
	CAS:	107-14-2
	InChi Code:	InChI=1S/C2H2ClN/c3-1-2-4/h1H2

Properties

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

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

Links to External Resources

Link	Resource description
DTXSID7021524	US EPA CompTox Dashboard