Molecule ID: mol14288
SMILES: Cc1cc(C(C)(C)C)cc(C)c1C(=O)O
InChI: InChI=1S/C13H18O2/c1-8-6-10(13(3,4)5)7-9(2)11(8)12(14)15/h6-7H,1-5H3,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.44 | Datawarrior | 0 » -1 |
| 3.44 | AttenGpKa training set | 0 » -1 |
| 3.44 | QSARToolbox | 0 » -1 |
| 3.44 | QSARToolbox | 0 » -1 |
| 3.44 | OCHEM | 0 » -1 |