Molecule ID: mol36468
SMILES: c1ccc(NN=C(c2ccccn2)c2ccccn2)nc1
InChI: InChI=1S/C16H13N5/c1-4-10-17-13(7-1)16(14-8-2-5-11-18-14)21-20-15-9-3-6-12-19-15/h1-12H,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.02 | QSARToolbox | 2 » 1 |
| 5.41 | QSARToolbox | 1 » 0 |