Molecule ID: mol1869
SMILES: Oc1ccccc1-c1ccccc1
InChI: InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.55 | OCHEM | 0 » -1 |
| 9.55 | OCHEM | 0 » -1 |
| 9.90 | Baltruschat ChEMBL | 0 » -1 |
| 9.92 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.92 | OCHEM | 0 » -1 |
| 9.92 | OCHEM | 0 » -1 |
| 9.93 | QSARToolbox | 0 » -1 |
| 9.97 | OCHEM | 0 » -1 |
| 9.97 | OCHEM | 0 » -1 |
| 9.97 | OCHEM | 0 » -1 |
| 9.97 | QSARToolbox | 0 » -1 |
| 9.99 | OCHEM | 0 » -1 |
| 9.99 | Datawarrior | 0 » -1 |
| 10.01 | IUPAC digitized pKa | 0 » -1 |
| 10.01 | OCHEM | 0 » -1 |
| 10.01 | Hunt | 0 » -1 |
| 10.01 | QSARToolbox | 0 » -1 |
| 10.02 | AttenGpKa training set | 0 » -1 |
| 11.27 | IUPAC digitized pKa | 0 » -1 |