Molecule ID: mol14210
SMILES: CNC(=O)c1ccccc1O
InChI: InChI=1S/C8H9NO2/c1-9-8(11)6-4-2-3-5-7(6)10/h2-5,10H,1H3,(H,9,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | AttenGpKa training set | 0 » -1 |
| 8.03 | OCHEM | 0 » -1 |
| 8.03 | QSARToolbox | 0 » -1 |
| 8.03 | QSARToolbox | 0 » -1 |
| 8.03 | Datawarrior | 0 » -1 |