Molecule ID: mol29320
SMILES: CNC(CC(N)=O)C(=O)O
InChI: InChI=1S/C5H10N2O3/c1-7-3(5(9)10)2-4(6)8/h3,7H,2H2,1H3,(H2,6,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.90 | AttenGpKa training set | 2 » 1 |
| 9.01 | AttenGpKa training set | 0 » -1 |