Molecule ID: mol838
SMILES: Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChI: InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.20 | QSARToolbox | 0 » -1 |
| 12.23 | QSARToolbox | 0 » -1 |
| 12.23 | IUPAC digitized pKa | 0 » -1 |
| 12.23 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 12.23 | OCHEM | 0 » -1 |
| 12.23 | OCHEM | 0 » -1 |
| 12.23 | Hunt | 0 » -1 |
| 12.23 | OCHEM | 0 » -1 |
| 12.23 | OCHEM | 0 » -1 |
| 12.37 | AttenGpKa training set | 0 » -1 |
| 12.55 | Datawarrior | 0 » -1 |
| 12.55 | OCHEM | 0 » -1 |
| 12.55 | QSARToolbox | 0 » -1 |
| 12.60 | QSARToolbox | 0 » -1 |