Molecule ID: mol25377
SMILES: O=C(O)c1nn[nH]c1C(=O)O
InChI: InChI=1S/C4H3N3O4/c8-3(9)1-2(4(10)11)6-7-5-1/h(H,8,9)(H,10,11)(H,5,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.86 | AttenGpKa training set | 0 » -1 |
| 1.86 | AttenGpKa training set | 0 » -1 |
| 5.90 | AttenGpKa training set | -2 » -3 |
| 5.90 | AttenGpKa training set | -2 » -3 |
| 9.30 | AttenGpKa training set | -2 » -3 |
| 9.30 | AttenGpKa training set | -2 » -3 |