Molecule ID: mol7024
SMILES: N#Cc1cnc(N)nc1
InChI: InChI=1S/C5H4N4/c6-1-4-2-8-5(7)9-3-4/h2-3H,(H2,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.48 | QSARToolbox | 1 » 0 |
| -1.48 | AttenGpKa training set | 1 » 0 |
| 0.66 | OCHEM | 1 » 0 |
| 0.66 | QSARToolbox | 1 » 0 |