Molecule ID: mol29413
SMILES: CC(=O)NCCC(=O)O
InChI: InChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.44 | OCHEM | 0 » -1 |
| 4.45 | OCHEM | 0 » -1 |
| 4.45 | OCHEM | 0 » -1 |
| 4.45 | AttenGpKa training set | 0 » -1 |