Molecule ID: mol6590
SMILES: O=C(O)c1cncc(C(=O)O)c1C(=O)O
InChI: InChI=1S/C8H5NO6/c10-6(11)3-1-9-2-4(7(12)13)5(3)8(14)15/h1-2H,(H,10,11)(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.01 | IUPAC digitized pKa | 0 » -1 |
| 3.69 | IUPAC digitized pKa | -1 » -2 |
| 5.48 | IUPAC digitized pKa | -2 » -3 |