Molecule ID: mol11533
SMILES: CC(C)(C)Cc1ccccc1O
InChI: InChI=1S/C11H16O/c1-11(2,3)8-9-6-4-5-7-10(9)12/h4-7,12H,8H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.69 | QSARToolbox | 0 » -1 |
| 10.69 | IUPAC digitized pKa | 0 » -1 |
| 10.69 | Datawarrior | 0 » -1 |
| 10.69 | OCHEM | 0 » -1 |
| 10.69 | AttenGpKa training set | 0 » -1 |
| 10.70 | QSARToolbox | 0 » -1 |