Molecule ID: mol16029
SMILES: Cc1cnc(N)s1
InChI: InChI=1S/C4H6N2S/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.71 | Datawarrior | 1 » 0 |
| 5.71 | OCHEM | 1 » 0 |
| 5.71 | QSARToolbox | 1 » 0 |
| 5.81 | AttenGpKa training set | 1 » 0 |