Molecule ID: mol16037
SMILES: O=C(O)C1CCN1
InChI: InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.01 | AttenGpKa training set | 1 » 0 |
| 9.54 | Datawarrior | 0 » -1 |
| 9.54 | OCHEM | 0 » -1 |
| 10.21 | AttenGpKa training set | 0 » -1 |