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: | 445 | |
|---|---|---|
| Name: | 2'-(Octyloxy)-acetanilide | |
| Description: | ||
| Labels: | ||
| CAS: | 55792-61-5 | |
| InChi Code: | InChI=1S/C16H25NO2/c1-3-4-5-6-7-10-13-19-16-12-9-8-11-15(16)17-14(2)18/h8-9,11-12H,3-7,10,13H2,1-2H3,(H,17,18) |
Properties
pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 5.767 |
experimental value |
| 6.127 |
Eq9: General validated correlation, logP free (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8022294 | US EPA CompTox Dashboard |