Molecule ID: mol35574
SMILES: Cc1ccc(N/N=C/c2ccccn2)nc1
InChI: InChI=1S/C12H12N4/c1-10-5-6-12(14-8-10)16-15-9-11-4-2-3-7-13-11/h2-9H,1H3,(H,14,16)/b15-9+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.28 | QSARToolbox | 2 » 1 |
| 5.99 | QSARToolbox | 1 » 0 |