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: | 327 | |
|---|---|---|
| Name: | 1,1,1,3,3,3-Hexafluoro-2-propanol | |
| Description: | ||
| Labels: | ||
| CAS: | 920-66-1 | |
| InChi Code: | InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H |
Properties
pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 2.839 |
experimental value |
| 2.55 |
Eq9: General validated correlation, logP free (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1022134 | US EPA CompTox Dashboard |