Molecule ID: mol32574
SMILES: O=C(NN=Cc1ccccc1O)c1ccncc1
InChI: InChI=1S/C13H11N3O2/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10/h1-9,17H,(H,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.39 | QSARToolbox | 1 » 0 |
| 3.33 | OCHEM | 1 » 0 |
| 8.31 | OCHEM | 0 » -1 |