Molecule ID: mol5607
SMILES: CCOc1cccc(C(=O)O)c1
InChI: InChI=1S/C9H10O3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.14 | AttenGpKa training set | 0 » -1 |
| 4.17 | Datawarrior | 0 » -1 |
| 4.17 | OCHEM | 0 » -1 |
| 4.17 | QSARToolbox | 0 » -1 |
| 4.17 | QSARToolbox | 0 » -1 |
| 4.17 | QSARToolbox | 0 » -1 |
| 4.17 | OCHEM | 0 » -1 |