Molecule ID: mol4959
SMILES: CNc1nc(C)nc2[nH]ncc12
InChI: InChI=1S/C7H9N5/c1-4-10-6(8-2)5-3-9-12-7(5)11-4/h3H,1-2H3,(H2,8,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.52 | IUPAC digitized pKa | 1 » 0 |
| 5.56 | OCHEM | 1 » 0 |
| 5.56 | QSARToolbox | 1 » 0 |
| 5.56 | Datawarrior | 1 » 0 |
| 11.27 | Datawarrior | 0 » -1 |
| 11.27 | OCHEM | 0 » -1 |
| 11.31 | IUPAC digitized pKa | 0 » -1 |