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:	97
	Name:	Acetophenone
	Description:
	Labels:
	CAS:	98-86-2
	InChi Code:	InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3

Properties

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

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

Links to External Resources

Link	Resource description
DTXSID6021828	US EPA CompTox Dashboard