Molecule ID: mol1733
SMILES: CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChI: InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 12.19 | QSARToolbox | 0 » -1 |
| 12.19 | IUPAC digitized pKa | 0 » -1 |
| 12.19 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 12.19 | OCHEM | 0 » -1 |
| 12.19 | OCHEM | 0 » -1 |
| 12.19 | Hunt | 0 » -1 |
| 12.19 | OCHEM | 0 » -1 |
| 12.19 | OCHEM | 0 » -1 |
| 12.19 | AttenGpKa training set | 0 » -1 |
| 12.20 | QSARToolbox | 0 » -1 |