Molecule ID: mol14207
SMILES: CONC(=O)c1ccccc1
InChI: InChI=1S/C8H9NO2/c1-11-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.88 | AttenGpKa training set | 0 » -1 |
| 8.89 | Datawarrior | 0 » -1 |
| 8.89 | OCHEM | 0 » -1 |
| 8.89 | QSARToolbox | 0 » -1 |