Molecule ID: mol14854
SMILES: O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3)nc2c1
InChI: InChI=1S/C13H9N3O2/c17-16(18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.95 | Datawarrior | 1 » 0 |
| 2.95 | OCHEM | 1 » 0 |
| 2.95 | QSARToolbox | 1 » 0 |