Molecule ID: mol8284
SMILES: Cn1cnc2nc(O)nc(O)c21
InChI: InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.57 | IUPAC digitized pKa | 2 » 1 |
| 0.87 | Datawarrior | 1 » 0 |
| 0.87 | OCHEM | 1 » 0 |
| 8.30 | QSARToolbox | 0 » -1 |
| 8.30 | QSARToolbox | 0 » -1 |
| 8.45 | OCHEM | 0 » -1 |
| 8.45 | Datawarrior | 0 » -1 |
| 8.50 | QSARToolbox | 0 » -1 |
| 8.50 | AttenGpKa training set | 0 » -1 |
| 10.40 | IUPAC digitized pKa | 0 » -1 |
| 10.60 | Datawarrior | 0 » -1 |