Molecule ID: mol4923
SMILES: Cc1nc(N)c2cnn(C)c2n1
InChI: InChI=1S/C7H9N5/c1-4-10-6(8)5-3-9-12(2)7(5)11-4/h3H,1-2H3,(H2,8,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.96 | IUPAC digitized pKa | 1 » 0 |
| 5.00 | Datawarrior | 1 » 0 |
| 5.00 | OCHEM | 1 » 0 |
| 5.00 | QSARToolbox | 1 » 0 |