Molecule ID: mol22699
SMILES: O=C(O)c1cc(C(=O)O)[nH]n1
InChI: InChI=1S/C5H4N2O4/c8-4(9)2-1-3(5(10)11)7-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | AttenGpKa training set | 0 » -1 |
| 3.89 | AttenGpKa training set | -1 » -2 |