Molecule ID: mol10505
SMILES: Cn1cnc2nc(C(=O)O)c(=O)[nH]c2c1=O
InChI: InChI=1S/C8H6N4O4/c1-12-2-9-5-3(7(12)14)11-6(13)4(10-5)8(15)16/h2H,1H3,(H,11,13)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.40 | IUPAC digitized pKa | 0 » -1 |
| 6.75 | IUPAC digitized pKa | -1 » -2 |