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:	148
	Name:	Cyclohexanone
	Description:
	Labels:
	CAS:	108-94-1
	InChi Code:	InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2

Properties

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

Value	Source or prediction
2.199	experimental value
2.574	Eq9: General validated correlation, logP free (Validation set)

Links to External Resources

Link	Resource description
DTXSID6020359	US EPA CompTox Dashboard