Molecule ID: mol22728
SMILES: O=C(O)c1c(F)cccc1Cl
InChI: InChI=1S/C7H4ClFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.95 | AttenGpKa training set | 0 » -1 |
| 1.95 | QSARToolbox | 0 » -1 |
| 1.95 | QSARToolbox | 0 » -1 |