Molecule ID: mol32778
SMILES: Cc1ccnc(N=Cc2ccc([N+](=O)[O-])cc2)n1
InChI: InChI=1S/C12H10N4O2/c1-9-6-7-13-12(15-9)14-8-10-2-4-11(5-3-10)16(17)18/h2-8H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.66 | QSARToolbox | 1 » 0 |
| 3.66 | OCHEM | 1 » 0 |