Molecule ID: mol2090
SMILES: CC(C)(C)c1ccc(CC(=O)O)cc1
InChI: InChI=1S/C12H16O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | AttenGpKa training set | 0 » -1 |
| 4.42 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.42 | OCHEM | 0 » -1 |
| 4.42 | OCHEM | 0 » -1 |
| 4.42 | Hunt | 0 » -1 |
| 4.42 | OCHEM | 0 » -1 |
| 4.42 | OCHEM | 0 » -1 |
| 4.42 | OCHEM | 0 » -1 |
| 4.42 | OCHEM | 0 » -1 |
| 4.42 | OCHEM | 0 » -1 |
| 4.42 | QSARToolbox | 0 » -1 |
| 4.42 | QSARToolbox | 0 » -1 |