Molecule ID: mol14117
SMILES: COC(=O)c1ccc(O)cc1
InChI: InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.34 | Datawarrior | 0 » -1 |
| 8.34 | QSARToolbox | 0 » -1 |
| 8.34 | QSARToolbox | 0 » -1 |
| 8.34 | QSARToolbox | 0 » -1 |
| 8.34 | OCHEM | 0 » -1 |
| 8.35 | AttenGpKa training set | 0 » -1 |
| 8.47 | OCHEM | 0 » -1 |
| 8.47 | OCHEM | 0 » -1 |
| 8.47 | QSARToolbox | 0 » -1 |
| 8.50 | OCHEM | 0 » -1 |
| 8.50 | Baltruschat ChEMBL | 0 » -1 |