Molecule ID: mol10050
SMILES: O=C(O)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]c1=O
InChI: InChI=1S/C7H4N4O5/c12-4-1-3(10-7(16)11-4)8-2(6(14)15)5(13)9-1/h(H,9,13)(H,14,15)(H2,8,10,11,12,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.70 | IUPAC digitized pKa | 0 » -1 |
| 7.20 | IUPAC digitized pKa | -2 » -3 |
| 9.63 | IUPAC digitized pKa | -3 » -4 |