Molecule ID: mol5611
SMILES: O=C(O)c1ccccc1F
InChI: InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.90 | QSARToolbox | 0 » -1 |
| 2.90 | QSARToolbox | 0 » -1 |
| 2.90 | QSARToolbox | 0 » -1 |
| 3.09 | OCHEM | 0 » -1 |
| 3.27 | QSARToolbox | 0 » -1 |
| 3.27 | QSARToolbox | 0 » -1 |
| 3.27 | QSARToolbox | 0 » -1 |
| 3.27 | QSARToolbox | 0 » -1 |
| 3.27 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.27 | OCHEM | 0 » -1 |
| 3.27 | OCHEM | 0 » -1 |
| 3.27 | OCHEM | 0 » -1 |
| 3.27 | OCHEM | 0 » -1 |
| 3.27 | OCHEM | 0 » -1 |
| 3.27 | OCHEM | 0 » -1 |
| 3.27 | Baltruschat ChEMBL | 0 » -1 |
| 3.31 | QSARToolbox | 0 » -1 |
| 3.31 | QSARToolbox | 0 » -1 |
| 3.44 | AttenGpKa training set | 0 » -1 |
| 3.60 | OCHEM | 0 » -1 |
| 3.60 | Datawarrior | 0 » -1 |