Molecule ID: mol7093
SMILES: Cc1nccc(N)n1
InChI: InChI=1S/C5H7N3/c1-4-7-3-2-5(6)8-4/h2-3H,1H3,(H2,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.89 | IUPAC digitized pKa | 1 » 0 |
| 6.53 | IUPAC digitized pKa | 1 » 0 |
| 6.53 | OCHEM | 1 » 0 |
| 6.53 | QSARToolbox | 1 » 0 |