Molecule ID: mol10412
SMILES: COc1ccc(O)c(=O)cc1
InChI: InChI=1S/C8H8O3/c1-11-6-2-4-7(9)8(10)5-3-6/h2-5H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.75 | IUPAC digitized pKa | 0 » -1 |
| 7.75 | Datawarrior | 0 » -1 |
| 7.75 | OCHEM | 0 » -1 |
| 7.75 | OCHEM | 0 » -1 |
| 7.75 | AttenGpKa training set | 0 » -1 |