Molecule ID: mol7275
SMILES: N#Cc1cnc(N)nc1N
InChI: InChI=1S/C5H5N5/c6-1-3-2-9-5(8)10-4(3)7/h2H,(H4,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.75 | IUPAC digitized pKa | 1 » 0 |
| 3.75 | OCHEM | 1 » 0 |
| 3.75 | QSARToolbox | 1 » 0 |
| 3.75 | AttenGpKa training set | 1 » 0 |