Molecule ID: mol15221
SMILES: O=C(N/N=C/c1ccccc1)c1ccncc1
InChI: InChI=1S/C13H11N3O/c17-13(12-6-8-14-9-7-12)16-15-10-11-4-2-1-3-5-11/h1-10H,(H,16,17)/b15-10+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.82 | Datawarrior | 1 » 0 |
| 1.82 | QSARToolbox | 1 » 0 |