Molecule ID: mol9952
SMILES: O=Cc1ccc(O)c(O)c1
InChI: InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.19 | IUPAC digitized pKa | 0 » -1 |
| 7.21 | AttenGpKa training set | 0 » -1 |
| 7.27 | IUPAC digitized pKa | 0 » -1 |
| 7.36 | QSARToolbox | 0 » -1 |
| 7.36 | QSARToolbox | 0 » -1 |
| 7.45 | OCHEM | 0 » -1 |
| 7.45 | Datawarrior | 0 » -1 |
| 7.55 | QSARToolbox | 0 » -1 |
| 7.55 | QSARToolbox | 0 » -1 |
| 7.55 | QSARToolbox | 0 » -1 |
| 11.40 | IUPAC digitized pKa | -1 » -2 |
| 11.80 | AttenGpKa training set | -1 » -2 |