Molecule ID: mol4270
SMILES: CCNc1nc(N)nc(N)n1
InChI: InChI=1S/C5H10N6/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H5,6,7,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.23 | IUPAC digitized pKa | 1 » 0 |
| 5.23 | Datawarrior | 1 » 0 |
| 5.23 | OCHEM | 1 » 0 |
| 8.67 | QSARToolbox | 1 » 0 |
| 8.77 | QSARToolbox | 1 » 0 |