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: | 405 | |
|---|---|---|
| Name: | 1,1,1-Trichloro-2-methyl-2-propanol | |
| Description: | CAS changed to match name, molfile and internet databases e.g Ecotox, was: 6001-64-5. | |
| Labels: | ||
| CAS: | 57-15-8 | |
| InChi Code: | InChI=1S/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3 |
Properties
pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 3.119 |
experimental value |
| 2.751 |
Eq9: General validated correlation, logP free (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1041217 | US EPA CompTox Dashboard |