Molecule ID: mol4925
SMILES: Cn1ncc2c(N)ncnc21
InChI: InChI=1S/C6H7N5/c1-11-6-4(2-10-11)5(7)8-3-9-6/h2-3H,1H3,(H2,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.28 | IUPAC digitized pKa | 1 » 0 |
| 4.32 | Datawarrior | 1 » 0 |
| 4.32 | QSARToolbox | 1 » 0 |
| 4.32 | OCHEM | 1 » 0 |