Molecule ID: mol36476
SMILES: C(=N/Nc1ccccn1)\c1nccc2ccccc12
InChI: InChI=1S/C15H12N4/c1-2-6-13-12(5-1)8-10-16-14(13)11-18-19-15-7-3-4-9-17-15/h1-11H,(H,17,19)/b18-11+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | QSARToolbox | 2 » 1 |
| 6.05 | QSARToolbox | 1 » 0 |