Molecule ID: mol2473
SMILES: Oc1ccc(F)cc1
InChI: InChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.46 | IUPAC digitized pKa | 0 » -1 |
| 9.46 | QSARToolbox | 0 » -1 |
| 9.75 | IUPAC digitized pKa | 0 » -1 |
| 9.75 | QSARToolbox | 0 » -1 |
| 9.81 | QSARToolbox | 0 » -1 |
| 9.81 | QSARToolbox | 0 » -1 |
| 9.83 | OCHEM | 0 » -1 |
| 9.88 | Datawarrior | 0 » -1 |
| 9.88 | OCHEM | 0 » -1 |
| 9.89 | IUPAC digitized pKa | 0 » -1 |
| 9.89 | OCHEM | 0 » -1 |
| 9.89 | OCHEM | 0 » -1 |
| 9.89 | Baltruschat ChEMBL | 0 » -1 |
| 9.89 | QSARToolbox | 0 » -1 |
| 9.90 | QSARToolbox | 0 » -1 |
| 9.90 | QSARToolbox | 0 » -1 |
| 9.91 | QSARToolbox | 0 » -1 |
| 9.91 | QSARToolbox | 0 » -1 |
| 9.91 | IUPAC digitized pKa | 0 » -1 |
| 9.91 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.91 | OCHEM | 0 » -1 |
| 9.91 | OCHEM | 0 » -1 |
| 9.91 | OCHEM | 0 » -1 |
| 9.91 | OCHEM | 0 » -1 |
| 9.95 | QSARToolbox | 0 » -1 |
| 9.95 | QSARToolbox | 0 » -1 |
| 9.95 | QSARToolbox | 0 » -1 |
| 9.95 | OCHEM | 0 » -1 |
| 9.95 | Hunt | 0 » -1 |