Molecule ID: mol1204
SMILES: Nc1ccc([N+](=O)[O-])c2ccccc12
InChI: InChI=1S/C10H8N2O2/c11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9/h1-6H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.39 | QSARToolbox | 1 » 0 |
| 0.53 | OCHEM | 1 » 0 |
| 0.53 | Datawarrior | 1 » 0 |
| 0.54 | IUPAC digitized pKa | 1 » 0 |
| 0.54 | Hunt | 1 » 0 |
| 0.54 | OCHEM | 1 » 0 |
| 0.54 | OCHEM | 1 » 0 |
| 0.54 | AttenGpKa training set | 1 » 0 |
| 0.54 | QSARToolbox | 1 » 0 |
| 0.54 | QSARToolbox | 1 » 0 |
| 0.68 | QSARToolbox | 1 » 0 |