Molecule ID: mol8262
SMILES: Cn1cnc2c(N)ncnc21
InChI: InChI=1S/C6H7N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3,(H2,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.59 | Datawarrior | 2 » 1 |
| -0.59 | OCHEM | 2 » 1 |
| 3.88 | AttenGpKa training set | 1 » 0 |
| 3.90 | IUPAC digitized pKa | 1 » 0 |