Molecule ID: mol14428
SMILES: CC(C)c1ccc(C(=O)/C=C/C(=O)O)cc1
InChI: InChI=1S/C13H14O3/c1-9(2)10-3-5-11(6-4-10)12(14)7-8-13(15)16/h3-9H,1-2H3,(H,15,16)/b8-7+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | Datawarrior | 0 » -1 |
| 3.40 | QSARToolbox | 0 » -1 |