Molecule ID: mol1819
SMILES: CC(C)c1ccccc1C(=O)O
InChI: InChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.63 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.63 | OCHEM | 0 » -1 |
| 3.63 | OCHEM | 0 » -1 |
| 3.63 | Hunt | 0 » -1 |
| 3.63 | OCHEM | 0 » -1 |
| 3.63 | OCHEM | 0 » -1 |
| 3.63 | OCHEM | 0 » -1 |
| 3.63 | OCHEM | 0 » -1 |
| 3.63 | AttenGpKa training set | 0 » -1 |
| 3.63 | QSARToolbox | 0 » -1 |
| 3.63 | QSARToolbox | 0 » -1 |
| 3.64 | Datawarrior | 0 » -1 |
| 3.64 | OCHEM | 0 » -1 |
| 3.64 | OCHEM | 0 » -1 |
| 3.64 | OCHEM | 0 » -1 |
| 3.64 | QSARToolbox | 0 » -1 |
| 3.64 | QSARToolbox | 0 » -1 |