Molecule ID: mol14208
SMILES: CN(O)C(=O)c1ccccc1
InChI: InChI=1S/C8H9NO2/c1-9(11)8(10)7-5-3-2-4-6-7/h2-6,11H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.87 | QSARToolbox | 0 » -1 |
| 7.87 | QSARToolbox | 0 » -1 |
| 8.07 | OCHEM | 0 » -1 |
| 8.07 | Datawarrior | 0 » -1 |
| 8.28 | QSARToolbox | 0 » -1 |
| 8.28 | QSARToolbox | 0 » -1 |
| 8.59 | AttenGpKa training set | 0 » -1 |