Molecule ID: mol2320
SMILES: CC(=O)Nc1ccc(O)cc1
InChI: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.00 | Baltruschat ChEMBL | 1 » 0 |
| 9.38 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.38 | OCHEM | 0 » -1 |
| 9.38 | OCHEM | 0 » -1 |
| 9.38 | OCHEM | 0 » -1 |
| 9.38 | OCHEM | 0 » -1 |
| 9.38 | OCHEM | 0 » -1 |
| 9.50 | Datawarrior | 0 » -1 |
| 9.50 | OCHEM | 0 » -1 |
| 9.50 | Baltruschat ChEMBL | 0 » -1 |
| 9.50 | QSARToolbox | 0 » -1 |
| 9.52 | OCHEM | 0 » -1 |
| 9.58 | AttenGpKa training set | 0 » -1 |
| 9.63 | OCHEM | 0 » -1 |
| 9.63 | OCHEM | 0 » -1 |
| 9.63 | Hunt | 0 » -1 |
| 9.63 | OCHEM | 0 » -1 |
| 9.63 | Baltruschat ChEMBL | 0 » -1 |