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: | 395 | |
|---|---|---|
| Name: | Dimethyl nitroterephthalate | |
| Description: | ||
| Labels: | ||
| CAS: | 5292-45-5 | |
| InChi Code: | InChI=1S/C10H9NO6/c1-16-9(12)6-3-4-7(10(13)17-2)8(5-6)11(14)15/h3-5H,1-2H3 |
Properties
pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 4.564 |
experimental value |
| 4.315 |
Eq9: General validated correlation, logP free (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5022223 | US EPA CompTox Dashboard |