Molecule ID: mol14184
SMILES: O=[N+]([O-])c1ccc(NO)cc1
InChI: InChI=1S/C6H6N2O3/c9-7-5-1-3-6(4-2-5)8(10)11/h1-4,7,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.65 | QSARToolbox | 1 » 0 |
| 0.65 | OCHEM | 1 » 0 |
| 0.65 | Datawarrior | 1 » 0 |
| 0.65 | AttenGpKa training set | 1 » 0 |