Molecule ID: mol2472
SMILES: Oc1cccc(F)c1
InChI: InChI=1S/C6H5FO/c7-5-2-1-3-6(8)4-5/h1-4,8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.81 | IUPAC digitized pKa | 0 » -1 |
| 8.81 | QSARToolbox | 0 » -1 |
| 9.21 | IUPAC digitized pKa | 0 » -1 |
| 9.21 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.21 | OCHEM | 0 » -1 |
| 9.21 | OCHEM | 0 » -1 |
| 9.21 | OCHEM | 0 » -1 |
| 9.21 | OCHEM | 0 » -1 |
| 9.21 | QSARToolbox | 0 » -1 |
| 9.21 | QSARToolbox | 0 » -1 |
| 9.25 | OCHEM | 0 » -1 |
| 9.26 | AttenGpKa training set | 0 » -1 |
| 9.28 | QSARToolbox | 0 » -1 |
| 9.28 | OCHEM | 0 » -1 |
| 9.28 | OCHEM | 0 » -1 |
| 9.28 | Hunt | 0 » -1 |
| 9.29 | QSARToolbox | 0 » -1 |
| 9.29 | QSARToolbox | 0 » -1 |
| 9.29 | IUPAC digitized pKa | 0 » -1 |
| 9.29 | OCHEM | 0 » -1 |
| 9.29 | OCHEM | 0 » -1 |
| 9.29 | Baltruschat ChEMBL | 0 » -1 |