Molecule ID: mol2232
SMILES: O=Cc1cccc(O)c1
InChI: InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | QSARToolbox | 0 » -1 |
| 8.86 | OCHEM | 0 » -1 |
| 8.86 | Datawarrior | 0 » -1 |
| 8.98 | QSARToolbox | 0 » -1 |
| 8.98 | QSARToolbox | 0 » -1 |
| 8.98 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.98 | OCHEM | 0 » -1 |
| 8.98 | OCHEM | 0 » -1 |
| 8.98 | OCHEM | 0 » -1 |
| 8.98 | OCHEM | 0 » -1 |
| 8.98 | OCHEM | 0 » -1 |
| 8.99 | OCHEM | 0 » -1 |
| 9.00 | OCHEM | 0 » -1 |
| 9.00 | OCHEM | 0 » -1 |
| 9.00 | Hunt | 0 » -1 |
| 9.00 | OCHEM | 0 » -1 |
| 9.00 | AttenGpKa training set | 0 » -1 |