Molecule ID: mol13211
SMILES: CC(C)COc1ccc(C(=O)O)cc1
InChI: InChI=1S/C11H14O3/c1-8(2)7-14-10-5-3-9(4-6-10)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.48 | Datawarrior | 0 » -1 |
| 4.48 | OCHEM | 0 » -1 |
| 4.48 | QSARToolbox | 0 » -1 |
| 4.48 | QSARToolbox | 0 » -1 |