Molecule ID: mol7065
SMILES: Cc1nc(O)nc(N)c1NC=O
InChI: InChI=1S/C6H8N4O2/c1-3-4(8-2-11)5(7)10-6(12)9-3/h2H,1H3,(H,8,11)(H3,7,9,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.84 | IUPAC digitized pKa | 1 » 0 |
| 3.87 | AttenGpKa training set | 1 » 0 |
| 11.39 | AttenGpKa training set | -1 » -2 |
| 11.44 | IUPAC digitized pKa | -1 » -2 |