Molecule ID: mol10410
SMILES: COc1ccccc(=O)c1O
InChI: InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(9)8(7)10/h2-5H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | IUPAC digitized pKa | 0 » -1 |
| 8.00 | Datawarrior | 0 » -1 |
| 8.00 | OCHEM | 0 » -1 |
| 8.00 | OCHEM | 0 » -1 |
| 8.00 | AttenGpKa training set | 0 » -1 |