Molecule ID: mol8774
SMILES: O=c1cccccc1O
InChI: InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.71 | QSARToolbox | 0 » -1 |
| 6.81 | AttenGpKa training set | 0 » -1 |
| 6.87 | OCHEM | 0 » -1 |
| 6.87 | Datawarrior | 0 » -1 |
| 6.92 | QSARToolbox | 0 » -1 |
| 7.00 | OCHEM | 0 » -1 |
| 7.00 | QSARToolbox | 0 » -1 |