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: | 220 | |
|---|---|---|
| Name: | 5,5-Dimethyl-1,3-cyclohexanedione | |
| Description: | Name corrected, was: Tetrachloroethylene. | |
| Labels: | ||
| CAS: | 126-81-8 | |
| InChi Code: | InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3 |
Properties
pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 4.002 |
experimental value |
| 5.251 |
Eq9: General validated correlation, logP free (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8021987 | US EPA CompTox Dashboard |