Molecule ID: mol7610
SMILES: Cc1nc(N)nc(O)n1
InChI: InChI=1S/C4H6N4O/c1-2-6-3(5)8-4(9)7-2/h1H3,(H3,5,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | IUPAC digitized pKa | 1 » 0 |
| 3.10 | AttenGpKa training set | 1 » 0 |
| 9.20 | IUPAC digitized pKa | 0 » -1 |
| 9.20 | OCHEM | 0 » -1 |
| 9.20 | AttenGpKa training set | 0 » -1 |