Molecule ID: mol31407
SMILES: Cc1ccccc1C(=O)NO
InChI: InChI=1S/C8H9NO2/c1-6-4-2-3-5-7(6)8(10)9-11/h2-5,11H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.55 | AttenGpKa training set | 0 » -1 |
| 8.73 | QSARToolbox | 0 » -1 |
| 8.73 | QSARToolbox | 0 » -1 |