Molecule ID: mol5612
SMILES: O=C(O)c1cccc(F)c1
InChI: InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.85 | QSARToolbox | 0 » -1 |
| 3.85 | QSARToolbox | 0 » -1 |
| 3.86 | OCHEM | 0 » -1 |
| 3.86 | QSARToolbox | 0 » -1 |
| 3.86 | QSARToolbox | 0 » -1 |
| 3.86 | QSARToolbox | 0 » -1 |
| 3.86 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.86 | OCHEM | 0 » -1 |
| 3.86 | OCHEM | 0 » -1 |
| 3.86 | OCHEM | 0 » -1 |
| 3.86 | OCHEM | 0 » -1 |
| 3.86 | IUPAC digitized pKa | 0 » -1 |
| 3.87 | QSARToolbox | 0 » -1 |
| 3.87 | OCHEM | 0 » -1 |
| 3.87 | OCHEM | 0 » -1 |
| 3.87 | Baltruschat ChEMBL | 0 » -1 |
| 3.87 | AttenGpKa training set | 0 » -1 |
| 3.88 | QSARToolbox | 0 » -1 |
| 3.90 | Datawarrior | 0 » -1 |
| 3.90 | OCHEM | 0 » -1 |
| 3.92 | QSARToolbox | 0 » -1 |