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 |