Molecule ID: mol35807
SMILES: Cc1cccc(/C=N/Nc2ccccn2)n1
InChI: InChI=1S/C12H12N4/c1-10-5-4-6-11(15-10)9-14-16-12-7-2-3-8-13-12/h2-9H,1H3,(H,13,16)/b14-9+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.84 | QSARToolbox | 2 » 1 |
| 6.03 | QSARToolbox | 1 » 0 |