Molecule ID: mol1403
SMILES: Oc1ccccc1F
InChI: InChI=1S/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.49 | QSARToolbox | 0 » -1 |
| 8.49 | IUPAC digitized pKa | 0 » -1 |
| 8.70 | QSARToolbox | 0 » -1 |
| 8.70 | QSARToolbox | 0 » -1 |
| 8.70 | IUPAC digitized pKa | 0 » -1 |
| 8.70 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.70 | OCHEM | 0 » -1 |
| 8.70 | OCHEM | 0 » -1 |
| 8.70 | OCHEM | 0 » -1 |
| 8.70 | OCHEM | 0 » -1 |
| 8.72 | OCHEM | 0 » -1 |
| 8.73 | QSARToolbox | 0 » -1 |
| 8.73 | QSARToolbox | 0 » -1 |
| 8.73 | IUPAC digitized pKa | 0 » -1 |
| 8.73 | OCHEM | 0 » -1 |
| 8.73 | OCHEM | 0 » -1 |
| 8.73 | Baltruschat ChEMBL | 0 » -1 |
| 8.80 | AttenGpKa training set | 0 » -1 |
| 8.81 | Datawarrior | 0 » -1 |
| 8.81 | OCHEM | 0 » -1 |
| 8.81 | Hunt | 0 » -1 |
| 8.81 | OCHEM | 0 » -1 |
| 8.81 | QSARToolbox | 0 » -1 |
| 8.81 | QSARToolbox | 0 » -1 |