Molecule ID: mol29412
SMILES: O=CNCC(=O)O
InChI: InChI=1S/C3H5NO3/c5-2-4-1-3(6)7/h2H,1H2,(H,4,5)(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.43 | OCHEM | 0 » -1 |
| 3.43 | OCHEM | 0 » -1 |
| 3.43 | OCHEM | 0 » -1 |
| 3.43 | AttenGpKa training set | 0 » -1 |
| 3.43 | QSARToolbox | 0 » -1 |