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:	51
	Name:	beta-Ionone
	Description:
	Labels:
	CAS:	79-77-6
	InChi Code:	InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+

Properties

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

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

Links to External Resources

Link	Resource description
DTXSID4021769	US EPA CompTox Dashboard