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: | 353 | |
|---|---|---|
| Name: | Di-n-butylterephthalate | |
| Description: | ||
| Labels: | ||
| CAS: | 1962-75-0 | |
| InChi Code: | InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-7-9-14(10-8-13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 |
Properties
pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 5.674 |
experimental value |
| 6.308 |
Eq9: General validated correlation, logP free (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3022168 | US EPA CompTox Dashboard |