Molecule ID: mol35805
SMILES: Cc1cccc(/C=N/Nc2cccc(C)n2)n1
InChI: InChI=1S/C13H14N4/c1-10-5-3-7-12(15-10)9-14-17-13-8-4-6-11(2)16-13/h3-9H,1-2H3,(H,16,17)/b14-9+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.85 | QSARToolbox | 2 » 1 |
| 6.44 | QSARToolbox | 1 » 0 |