Molecule ID: mol10112
SMILES: Cc1nc[nH]c2nc(=O)c(=O)[nH]c1-2
InChI: InChI=1S/C7H6N4O2/c1-3-4-5(9-2-8-3)11-7(13)6(12)10-4/h2H,1H3,(H,10,12)(H,8,9,11,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.12 | IUPAC digitized pKa | 0 » -1 |
| 7.12 | AttenGpKa training set | 0 » -1 |
| 10.17 | IUPAC digitized pKa | -1 » -2 |
| 10.17 | AttenGpKa training set | -1 » -2 |