Molecule ID: mol27407
SMILES: CCOC(=O)CC#N
InChI: InChI=1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.17 | QSARToolbox | 0 » -1 |
| 10.20 | QSARToolbox | 0 » -1 |
| 10.63 | QSARToolbox | 0 » -1 |
| 10.79 | AttenGpKa training set | 0 » -1 |
| 10.83 | QSARToolbox | 0 » -1 |