Molecule ID: mol9971
SMILES: COc1ccccc1O
InChI: InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | QSARToolbox | 0 » -1 |
| 9.20 | QSARToolbox | 0 » -1 |
| 9.70 | OCHEM | 0 » -1 |
| 9.70 | Datawarrior | 0 » -1 |
| 9.85 | IUPAC digitized pKa | 0 » -1 |
| 9.85 | QSARToolbox | 0 » -1 |
| 9.88 | OCHEM | 0 » -1 |
| 9.90 | QSARToolbox | 0 » -1 |
| 9.90 | IUPAC digitized pKa | 0 » -1 |
| 9.90 | Baltruschat ChEMBL | 0 » -1 |
| 9.93 | QSARToolbox | 0 » -1 |
| 9.93 | QSARToolbox | 0 » -1 |
| 9.93 | QSARToolbox | 0 » -1 |
| 9.98 | QSARToolbox | 0 » -1 |
| 9.98 | QSARToolbox | 0 » -1 |
| 9.98 | QSARToolbox | 0 » -1 |
| 9.98 | QSARToolbox | 0 » -1 |
| 9.98 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.98 | OCHEM | 0 » -1 |
| 9.98 | OCHEM | 0 » -1 |
| 9.98 | OCHEM | 0 » -1 |
| 9.98 | OCHEM | 0 » -1 |
| 9.99 | OCHEM | 0 » -1 |
| 9.99 | OCHEM | 0 » -1 |
| 10.33 | QSARToolbox | 0 » -1 |
| 10.72 | QSARToolbox | 0 » -1 |