Molecule ID: mol34143
SMILES: CC(=O)OCC1=C(C(=O)O)C2CCC1C2
InChI: InChI=1S/C11H14O4/c1-6(12)15-5-9-7-2-3-8(4-7)10(9)11(13)14/h7-8H,2-5H2,1H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.68 | QSARToolbox | 0 » -1 |
| 4.68 | QSARToolbox | 0 » -1 |