Molecule ID: mol10508
SMILES: Cn1c(=O)[nH]c(=O)c2[nH]c(=O)c(C(=O)O)nc21
InChI: InChI=1S/C8H6N4O5/c1-12-4-2(5(13)11-8(12)17)10-6(14)3(9-4)7(15)16/h1H3,(H,10,14)(H,15,16)(H,11,13,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | IUPAC digitized pKa | 0 » -1 |
| 7.11 | IUPAC digitized pKa | -1 » -2 |
| 10.32 | IUPAC digitized pKa | -2 » -3 |