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: | 434 | |
|---|---|---|
| Name: | methyl 2-methylprop-2-enoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-propenoic acid, 2-methyl-, methyl ester | |
| Labels: | ||
| CAS: | 80-62-6 | |
| InChi Code: | InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3 |
Properties
M3.GHLI: Global half-life index i
| Value | Source or prediction |
|---|---|
| -1.84173 |
experimental value |
| -1.4959 |
Tab2.Model_3: Global half-life index (Training set) |
M7.pEC50: Daphnia toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 0.16 |
experimental value |
| 0.3691 |
Tab2.Model_7: Esters D. magna EC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020844 | US EPA CompTox Dashboard |