Molecule ID: mol5608
SMILES: CCOc1ccc(C(=O)O)cc1
InChI: InChI=1S/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.45 | QSARToolbox | 0 » -1 |
| 4.45 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.45 | OCHEM | 0 » -1 |
| 4.45 | OCHEM | 0 » -1 |
| 4.45 | OCHEM | 0 » -1 |
| 4.45 | OCHEM | 0 » -1 |
| 4.48 | QSARToolbox | 0 » -1 |
| 4.48 | QSARToolbox | 0 » -1 |
| 4.63 | AttenGpKa training set | 0 » -1 |
| 4.64 | OCHEM | 0 » -1 |
| 4.64 | Datawarrior | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |