Molecule ID: mol10506
SMILES: Cn1c(=O)[nH]c(=O)c2nc(C(=O)O)c(=O)[nH]c21
InChI: InChI=1S/C8H6N4O5/c1-12-4-2(5(13)11-8(12)17)9-3(7(15)16)6(14)10-4/h1H3,(H,10,14)(H,15,16)(H,11,13,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.00 | IUPAC digitized pKa | 0 » -1 |
| 6.15 | IUPAC digitized pKa | -1 » -2 |
| 10.75 | IUPAC digitized pKa | 1 » 0 |