Molecule ID: mol2345
SMILES: CC(C)c1cccc(C(C)C)c1O
InChI: InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.89 | AttenGpKa training set | 0 » -1 |
| 11.10 | IUPAC digitized pKa | 0 » -1 |
| 11.10 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 11.10 | OCHEM | 0 » -1 |
| 11.10 | OCHEM | 0 » -1 |
| 11.10 | OCHEM | 0 » -1 |
| 11.10 | Hunt | 0 » -1 |
| 11.10 | OCHEM | 0 » -1 |
| 11.10 | OCHEM | 0 » -1 |
| 11.10 | OCHEM | 0 » -1 |
| 11.10 | QSARToolbox | 0 » -1 |