Molecule ID: mol11676
SMILES: CCCCc1ccc(C(O)C(=O)O)cc1
InChI: InChI=1S/C12H16O3/c1-2-3-4-9-5-7-10(8-6-9)11(13)12(14)15/h5-8,11,13H,2-4H2,1H3,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.58 | QSARToolbox | 0 » -1 |
| 3.58 | QSARToolbox | 0 » -1 |
| 3.58 | IUPAC digitized pKa | 0 » -1 |
| 3.58 | OCHEM | 0 » -1 |