Molecule ID: mol5598
SMILES: CC(C)(C)c1ccccc1C(=O)O
InChI: InChI=1S/C11H14O2/c1-11(2,3)9-7-5-4-6-8(9)10(12)13/h4-7H,1-3H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.46 | AttenGpKa training set | 0 » -1 |
| 3.46 | QSARToolbox | 0 » -1 |
| 3.53 | QSARToolbox | 0 » -1 |
| 3.53 | Datawarrior | 0 » -1 |
| 3.53 | OCHEM | 0 » -1 |
| 3.54 | QSARToolbox | 0 » -1 |
| 3.54 | QSARToolbox | 0 » -1 |
| 3.54 | QSARToolbox | 0 » -1 |
| 3.54 | OCHEM | 0 » -1 |
| 3.55 | OCHEM | 0 » -1 |
| 3.57 | OCHEM | 0 » -1 |
| 3.57 | OCHEM | 0 » -1 |