Molecule ID: mol11507
SMILES: COc1ccc(C2CC2C(=O)O)cc1
InChI: InChI=1S/C11H12O3/c1-14-8-4-2-7(3-5-8)9-6-10(9)11(12)13/h2-5,9-10H,6H2,1H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.62 | QSARToolbox | 0 » -1 |
| 4.62 | OCHEM | 0 » -1 |
| 4.62 | IUPAC digitized pKa | 0 » -1 |