Molecule ID: mol11232
SMILES: CCOc1cccc(C(=O)O)c1C
InChI: InChI=1S/C10H12O3/c1-3-13-9-6-4-5-8(7(9)2)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.73 | Datawarrior | 0 » -1 |
| 3.73 | OCHEM | 0 » -1 |
| 3.73 | QSARToolbox | 0 » -1 |