Molecule ID: mol1397
SMILES: Oc1cccc(O)c1
InChI: InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.15 | QSARToolbox | 0 » -1 |
| 9.15 | QSARToolbox | 0 » -1 |
| 9.15 | QSARToolbox | 0 » -1 |
| 9.15 | OCHEM | 0 » -1 |
| 9.15 | Hunt | 0 » -1 |
| 9.20 | IUPAC digitized pKa | 0 » -1 |
| 9.21 | OCHEM | 0 » -1 |
| 9.21 | Baltruschat ChEMBL | 0 » -1 |
| 9.25 | AttenGpKa training set | 0 » -1 |
| 9.30 | IUPAC digitized pKa | 0 » -1 |
| 9.32 | QSARToolbox | 0 » -1 |
| 9.32 | IUPAC digitized pKa | 0 » -1 |
| 9.32 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.40 | Baltruschat ChEMBL | 0 » -1 |
| 9.44 | QSARToolbox | 0 » -1 |
| 9.44 | QSARToolbox | 0 » -1 |
| 9.44 | QSARToolbox | 0 » -1 |
| 9.44 | QSARToolbox | 0 » -1 |
| 9.44 | QSARToolbox | 0 » -1 |
| 9.44 | OCHEM | 0 » -1 |
| 9.44 | OCHEM | 0 » -1 |
| 9.52 | QSARToolbox | 0 » -1 |
| 9.52 | QSARToolbox | 0 » -1 |
| 9.56 | Datawarrior | 0 » -1 |
| 9.56 | OCHEM | 0 » -1 |
| 9.81 | QSARToolbox | 0 » -1 |
| 9.81 | QSARToolbox | 0 » -1 |
| 9.81 | QSARToolbox | 0 » -1 |
| 10.06 | QSARToolbox | -1 » -2 |
| 10.06 | QSARToolbox | -1 » -2 |
| 10.10 | OCHEM | -1 » -2 |
| 11.00 | OCHEM | -1 » -2 |
| 11.06 | IUPAC digitized pKa | -1 » -2 |
| 11.08 | AttenGpKa training set | -1 » -2 |
| 11.10 | QSARToolbox | -1 » -2 |
| 11.27 | IUPAC digitized pKa | -1 » -2 |
| 11.32 | QSARToolbox | -1 » -2 |
| 11.32 | QSARToolbox | -1 » -2 |
| 11.32 | QSARToolbox | -1 » -2 |
| 11.32 | Datawarrior | -1 » -2 |