Molecule ID: mol9964
SMILES: Cc1ccc(O)c(O)c1
InChI: InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.42 | QSARToolbox | 0 » -1 |
| 9.42 | QSARToolbox | 0 » -1 |
| 9.42 | QSARToolbox | 0 » -1 |
| 9.43 | QSARToolbox | 0 » -1 |
| 9.43 | QSARToolbox | 0 » -1 |
| 9.44 | IUPAC digitized pKa | 0 » -1 |
| 9.55 | AttenGpKa training set | 0 » -1 |
| 9.62 | OCHEM | 0 » -1 |
| 9.62 | Datawarrior | 0 » -1 |
| 9.67 | IUPAC digitized pKa | 0 » -1 |
| 9.70 | IUPAC digitized pKa | 0 » -1 |
| 11.90 | IUPAC digitized pKa | -1 » -2 |
| 12.77 | IUPAC digitized pKa | -1 » -2 |
| 12.91 | AttenGpKa training set | -1 » -2 |
| 12.95 | IUPAC digitized pKa | -1 » -2 |
| 13.27 | Datawarrior | -1 » -2 |