Molecule ID: mol1811
SMILES: Oc1cccc(C(F)(F)F)c1
InChI: InChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.68 | QSARToolbox | 0 » -1 |
| 8.90 | Baltruschat ChEMBL | 0 » -1 |
| 8.95 | QSARToolbox | 0 » -1 |
| 8.95 | QSARToolbox | 0 » -1 |
| 8.95 | OCHEM | 0 » -1 |
| 8.95 | IUPAC digitized pKa | 0 » -1 |
| 8.95 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.95 | OCHEM | 0 » -1 |
| 8.95 | OCHEM | 0 » -1 |
| 8.95 | OCHEM | 0 » -1 |
| 8.95 | OCHEM | 0 » -1 |
| 8.95 | Hunt | 0 » -1 |
| 8.95 | OCHEM | 0 » -1 |
| 8.95 | OCHEM | 0 » -1 |
| 8.95 | OCHEM | 0 » -1 |
| 8.95 | OCHEM | 0 » -1 |
| 10.54 | QSARToolbox | 0 » -1 |