Molecule ID: mol20524
SMILES: Oc1c(F)cccc1F
InChI: InChI=1S/C6H4F2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.10 | QSARToolbox | 0 » -1 |
| 7.10 | QSARToolbox | 0 » -1 |
| 7.10 | QSARToolbox | 0 » -1 |
| 7.10 | QSARToolbox | 0 » -1 |
| 7.12 | Baltruschat ChEMBL | 0 » -1 |
| 7.22 | AttenGpKa training set | 0 » -1 |