Molecule ID: mol5609
SMILES: CCc1ccccc1C(=O)O
InChI: InChI=1S/C9H10O2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | QSARToolbox | 0 » -1 |
| 3.30 | QSARToolbox | 0 » -1 |
| 3.77 | QSARToolbox | 0 » -1 |
| 3.77 | AttenGpKa training set | 0 » -1 |
| 3.79 | QSARToolbox | 0 » -1 |
| 3.79 | QSARToolbox | 0 » -1 |
| 3.79 | Datawarrior | 0 » -1 |
| 3.79 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.79 | OCHEM | 0 » -1 |
| 3.79 | OCHEM | 0 » -1 |
| 3.79 | OCHEM | 0 » -1 |
| 3.79 | OCHEM | 0 » -1 |