Molecule ID: mol4945
SMILES: CCNc1ncnc2[nH]ncc12
InChI: InChI=1S/C7H9N5/c1-2-8-6-5-3-11-12-7(5)10-4-9-6/h3-4H,2H2,1H3,(H2,8,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.56 | IUPAC digitized pKa | 1 » 0 |
| 4.60 | OCHEM | 1 » 0 |
| 4.60 | QSARToolbox | 1 » 0 |
| 4.60 | Datawarrior | 1 » 0 |
| 10.90 | Datawarrior | 0 » -1 |
| 10.90 | OCHEM | 0 » -1 |
| 10.94 | IUPAC digitized pKa | 0 » -1 |