Molecule ID: mol14291
SMILES: CCc1ccc(C(=O)/C=C/C(=O)O)cc1
InChI: InChI=1S/C12H12O3/c1-2-9-3-5-10(6-4-9)11(13)7-8-12(14)15/h3-8H,2H2,1H3,(H,14,15)/b8-7+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.38 | Datawarrior | 0 » -1 |
| 3.38 | QSARToolbox | 0 » -1 |