Molecule ID: mol4339
SMILES: O=[N+]([O-])c1cncc2ccccc12
InChI: InChI=1S/C9H6N2O2/c12-11(13)9-6-10-5-7-3-1-2-4-8(7)9/h1-6H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.35 | OCHEM | 1 » 0 |
| 1.35 | AttenGpKa training set | 1 » 0 |
| 1.35 | QSARToolbox | 1 » 0 |