Molecule ID: mol4342
SMILES: O=[N+]([O-])c1ccc2ccncc2c1
InChI: InChI=1S/C9H6N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-6H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.57 | QSARToolbox | 1 » 0 |
| 3.57 | IUPAC digitized pKa | 1 » 0 |
| 3.57 | OCHEM | 1 » 0 |
| 3.61 | AttenGpKa training set | 1 » 0 |