Molecule ID: mol4942
SMILES: CN(C)c1ncnc2[nH]ncc12
InChI: InChI=1S/C7H9N5/c1-12(2)7-5-3-10-11-6(5)8-4-9-7/h3-4H,1-2H3,(H,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.49 | IUPAC digitized pKa | 1 » 0 |
| 4.53 | Datawarrior | 1 » 0 |
| 4.53 | OCHEM | 1 » 0 |
| 4.53 | QSARToolbox | 1 » 0 |
| 11.00 | IUPAC digitized pKa | 0 » -1 |
| 11.00 | Datawarrior | 0 » -1 |
| 11.00 | OCHEM | 0 » -1 |