Molecule ID: mol5613
SMILES: O=C(O)c1ccc(F)cc1
InChI: InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.14 | QSARToolbox | 0 » -1 |
| 4.14 | QSARToolbox | 0 » -1 |
| 4.14 | QSARToolbox | 0 » -1 |
| 4.14 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.14 | OCHEM | 0 » -1 |
| 4.14 | OCHEM | 0 » -1 |
| 4.14 | OCHEM | 0 » -1 |
| 4.14 | OCHEM | 0 » -1 |
| 4.14 | OCHEM | 0 » -1 |
| 4.14 | OCHEM | 0 » -1 |
| 4.14 | Baltruschat ChEMBL | 0 » -1 |
| 4.14 | AttenGpKa training set | 0 » -1 |
| 4.15 | OCHEM | 0 » -1 |
| 4.15 | QSARToolbox | 0 » -1 |
| 4.15 | QSARToolbox | 0 » -1 |
| 4.15 | IUPAC digitized pKa | 0 » -1 |
| 4.16 | OCHEM | 0 » -1 |
| 4.16 | QSARToolbox | 0 » -1 |
| 4.16 | Datawarrior | 0 » -1 |
| 4.18 | QSARToolbox | 0 » -1 |