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:	326
	Name:	Phenyl disulfide
	Description:
	Labels:
	CAS:	882-33-7
	InChi Code:	InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H

Properties

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

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

Links to External Resources

Link	Resource description
DTXSID6022131	US EPA CompTox Dashboard