Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 2018 | |
|---|---|---|
| Name: | ethyl 3-ethoxypropanoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Ethyl 3-ethoxypropionate | |
| Labels: | ||
| CAS: | 763-69-9 | |
| InChi Code: | InChI=1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3 |
Properties
M7.pEC50: Daphnia toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| -0.82 |
experimental value |
| -0.2629 |
Tab2.Model_7: Esters D. magna EC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0027309 | US EPA CompTox Dashboard |