Molecule ID: mol23422
SMILES: O=C(O)CCC(=O)c1ccc(F)cc1
InChI: InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.44 | AttenGpKa training set | 0 » -1 |
| 4.44 | QSARToolbox | 0 » -1 |
| 4.44 | QSARToolbox | 0 » -1 |