Molecule ID: mol9966
SMILES: Cc1cc(O)cc(O)c1
InChI: InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.30 | OCHEM | 0 » -1 |
| 9.30 | Baltruschat ChEMBL | 0 » -1 |
| 9.36 | IUPAC digitized pKa | 0 » -1 |
| 9.36 | AttenGpKa training set | 0 » -1 |
| 9.48 | IUPAC digitized pKa | 0 » -1 |
| 11.20 | IUPAC digitized pKa | -1 » -2 |
| 11.66 | IUPAC digitized pKa | -1 » -2 |
| 11.66 | AttenGpKa training set | -1 » -2 |