Molecule ID: mol10049
SMILES: O=C(O)c1nc2c(=O)[nH]c(=O)[nH]c2[nH]c1=O
InChI: InChI=1S/C7H4N4O5/c12-4-1-3(10-7(16)11-4)9-5(13)2(8-1)6(14)15/h(H,14,15)(H3,9,10,11,12,13,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | IUPAC digitized pKa | 0 » -1 |
| 5.98 | IUPAC digitized pKa | -1 » -2 |
| 9.90 | IUPAC digitized pKa | -3 » -4 |