Molecule ID: mol1208
SMILES: Nc1ccc2ccccc2c1[N+](=O)[O-]
InChI: InChI=1S/C10H8N2O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12(13)14/h1-6H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.92 | OCHEM | 1 » 0 |
| -0.92 | Datawarrior | 1 » 0 |
| -0.85 | QSARToolbox | 1 » 0 |
| -0.85 | IUPAC digitized pKa | 1 » 0 |
| -0.85 | Hunt | 1 » 0 |
| -0.85 | OCHEM | 1 » 0 |
| -0.85 | AttenGpKa training set | 1 » 0 |