Molecule ID: mol4958
SMILES: CNc1ncnc2c1cnn2C
InChI: InChI=1S/C7H9N5/c1-8-6-5-3-11-12(2)7(5)10-4-9-6/h3-4H,1-2H3,(H,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | IUPAC digitized pKa | 1 » 0 |
| 4.24 | QSARToolbox | 1 » 0 |
| 4.24 | OCHEM | 1 » 0 |
| 4.24 | Datawarrior | 1 » 0 |