Molecule ID: mol23310
SMILES: O=C(O)CCc1ccc(F)cc1
InChI: InChI=1S/C9H9FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.55 | AttenGpKa training set | 0 » -1 |
| 4.55 | QSARToolbox | 0 » -1 |
| 4.55 | QSARToolbox | 0 » -1 |