Molecule ID: mol4340
SMILES: O=[N+]([O-])c1cccc2cnccc12
InChI: InChI=1S/C9H6N2O2/c12-11(13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.46 | Datawarrior | 1 » 0 |
| 3.46 | OCHEM | 1 » 0 |
| 3.49 | IUPAC digitized pKa | 1 » 0 |
| 3.49 | OCHEM | 1 » 0 |
| 3.49 | QSARToolbox | 1 » 0 |
| 3.53 | AttenGpKa training set | 1 » 0 |