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:	61
	Name:	Pentachlorophenol
	Description:
	Labels:
	CAS:	87-86-5
	InChi Code:	InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

Properties

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

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

Links to External Resources

Link	Resource description
DTXSID7021106	US EPA CompTox Dashboard