Molecule ID: mol6774
SMILES: N#Cc1nccnc1N
InChI: InChI=1S/C5H4N4/c6-3-4-5(7)9-2-1-8-4/h1-2H,(H2,7,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.43 | QSARToolbox | 1 » 0 |
| -0.43 | IUPAC digitized pKa | 1 » 0 |
| -0.43 | OCHEM | 1 » 0 |
| -0.43 | AttenGpKa training set | 1 » 0 |