Molecule ID: mol29905
SMILES: CSc1ccc(/C=C2\C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1
InChI: InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.88 | AttenGpKa training set | 0 » -1 |
| 4.88 | QSARToolbox | 0 » -1 |