Molecule ID: mol8747
SMILES: Oc1cc(O)cc(O)c1
InChI: InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.97 | IUPAC digitized pKa | 0 » -1 |
| 8.29 | AttenGpKa training set | 0 » -1 |
| 8.45 | QSARToolbox | 0 » -1 |
| 8.45 | QSARToolbox | 0 » -1 |
| 8.45 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.45 | OCHEM | 0 » -1 |
| 8.45 | OCHEM | 0 » -1 |
| 8.80 | QSARToolbox | 0 » -1 |
| 8.80 | QSARToolbox | 0 » -1 |
| 8.83 | OCHEM | 0 » -1 |
| 8.83 | Datawarrior | 0 » -1 |
| 8.88 | QSARToolbox | 0 » -1 |
| 8.88 | QSARToolbox | 0 » -1 |
| 9.00 | QSARToolbox | 0 » -1 |
| 9.23 | IUPAC digitized pKa | -1 » -2 |
| 9.35 | QSARToolbox | 0 » -1 |
| 9.35 | QSARToolbox | 0 » -1 |
| 9.41 | OCHEM | 0 » -1 |
| 9.54 | AttenGpKa training set | -1 » -2 |
| 13.55 | AttenGpKa training set | -2 » -3 |
| 14.10 | Datawarrior | -2 » -3 |