Molecule ID: mol22346
SMILES: C/C(=N\O)C(=O)NCC(=O)O
InChI: InChI=1S/C5H8N2O4/c1-3(7-11)5(10)6-2-4(8)9/h11H,2H2,1H3,(H,6,10)(H,8,9)/b7-3+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.49 | AttenGpKa training set | 0 » -1 |
| 10.13 | AttenGpKa training set | -1 » -2 |