Molecule ID: mol10042
SMILES: O=C(O)c1nc2cnc[nH]c-2nc1=O
InChI: InChI=1S/C7H4N4O3/c12-6-4(7(13)14)10-3-1-8-2-9-5(3)11-6/h1-2H,(H,13,14)(H,8,9,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.50 | IUPAC digitized pKa | 0 » -1 |
| 6.73 | IUPAC digitized pKa | -1 » -2 |