Molecule ID: mol6425
SMILES: CNc1cc(C(=O)O)nc(C(=O)O)c1
InChI: InChI=1S/C8H8N2O4/c1-9-4-2-5(7(11)12)10-6(3-4)8(13)14/h2-3H,1H3,(H,9,10)(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.30 | IUPAC digitized pKa | 1 » 0 |
| 9.68 | IUPAC digitized pKa | -1 » -2 |