Molecule ID: mol11234
SMILES: CCOc1ccc(C(=O)O)c(C)c1
InChI: InChI=1S/C10H12O3/c1-3-13-8-4-5-9(10(11)12)7(2)6-8/h4-6H,3H2,1-2H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.54 | QSARToolbox | 0 » -1 |
| 4.54 | QSARToolbox | 0 » -1 |
| 4.54 | Datawarrior | 0 » -1 |
| 4.54 | OCHEM | 0 » -1 |
| 4.54 | OCHEM | 0 » -1 |