Molecule ID: mol15987
SMILES: CC(CN)C(=O)O
InChI: InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.53 | QSARToolbox | 1 » 0 |
| 3.53 | Datawarrior | 1 » 0 |
| 3.53 | OCHEM | 1 » 0 |
| 9.91 | OCHEM | 0 » -1 |
| 9.91 | Datawarrior | 0 » -1 |