Molecule ID: mol1781
SMILES: O=Cc1ccccc1O
InChI: InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.79 | QSARToolbox | 0 » -1 |
| 7.95 | QSARToolbox | 0 » -1 |
| 8.10 | QSARToolbox | 0 » -1 |
| 8.10 | QSARToolbox | 0 » -1 |
| 8.22 | IUPAC digitized pKa | 0 » -1 |
| 8.23 | AttenGpKa training set | 0 » -1 |
| 8.25 | QSARToolbox | 0 » -1 |
| 8.27 | OCHEM | 0 » -1 |
| 8.30 | OCHEM | 0 » -1 |
| 8.30 | Baltruschat ChEMBL | 0 » -1 |
| 8.34 | IUPAC digitized pKa | 0 » -1 |
| 8.34 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.34 | OCHEM | 0 » -1 |
| 8.34 | OCHEM | 0 » -1 |
| 8.34 | Hunt | 0 » -1 |
| 8.34 | OCHEM | 0 » -1 |
| 8.36 | OCHEM | 0 » -1 |
| 8.36 | Datawarrior | 0 » -1 |
| 8.37 | QSARToolbox | 0 » -1 |
| 8.37 | IUPAC digitized pKa | 0 » -1 |
| 8.37 | IUPAC digitized pKa | 0 » -1 |