Molecule ID: mol12534
SMILES: CC(C)(C)Cc1ccc(O)cc1
InChI: InChI=1S/C11H16O/c1-11(2,3)8-9-4-6-10(12)7-5-9/h4-7,12H,8H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.43 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.49 | AttenGpKa training set | 0 » -1 |
| 10.71 | Datawarrior | 0 » -1 |
| 10.71 | OCHEM | 0 » -1 |