Molecule ID: mol9955
SMILES: O=c1cccc(O)cc1O
InChI: InChI=1S/C7H6O3/c8-5-2-1-3-6(9)7(10)4-5/h1-4,8H,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.76 | IUPAC digitized pKa | 0 » -1 |
| 5.76 | Datawarrior | 0 » -1 |
| 5.76 | AttenGpKa training set | 0 » -1 |
| 5.76 | OCHEM | 0 » -1 |
| 9.52 | IUPAC digitized pKa | -1 » -2 |
| 9.52 | Datawarrior | -1 » -2 |
| 9.52 | AttenGpKa training set | -1 » -2 |