Molecule ID: mol10509
SMILES: Cn1c(=O)[nH]c2nc(C(=O)O)c(=O)[nH]c2c1=O
InChI: InChI=1S/C8H6N4O5/c1-12-6(14)2-4(11-8(12)17)9-3(7(15)16)5(13)10-2/h1H3,(H,10,13)(H,15,16)(H,9,11,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.90 | IUPAC digitized pKa | 0 » -1 |
| 7.52 | IUPAC digitized pKa | -1 » -2 |
| 10.20 | IUPAC digitized pKa | -2 » -3 |