Molecule ID: mol35923
SMILES: O=[N+]([O-])c1ccc(NN=C(c2ccccn2)c2ccccn2)nc1
InChI: InChI=1S/C16H12N6O2/c23-22(24)12-7-8-15(19-11-12)20-21-16(13-5-1-3-9-17-13)14-6-2-4-10-18-14/h1-11H,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.96 | QSARToolbox | 3 » 2 |
| 3.75 | QSARToolbox | 2 » 1 |