Molecule ID: mol1382
SMILES: Oc1ccc(-c2ccccc2)cc1
InChI: InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.24 | QSARToolbox | 0 » -1 |
| 9.40 | QSARToolbox | 0 » -1 |
| 9.40 | QSARToolbox | 0 » -1 |
| 9.47 | Datawarrior | 0 » -1 |
| 9.47 | OCHEM | 0 » -1 |
| 9.50 | AttenGpKa training set | 0 » -1 |
| 9.50 | Baltruschat ChEMBL | 0 » -1 |
| 9.51 | QSARToolbox | 0 » -1 |
| 9.55 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.55 | OCHEM | 0 » -1 |
| 9.55 | OCHEM | 0 » -1 |
| 9.55 | OCHEM | 0 » -1 |
| 9.55 | OCHEM | 0 » -1 |
| 9.55 | Hunt | 0 » -1 |
| 9.55 | OCHEM | 0 » -1 |
| 9.55 | OCHEM | 0 » -1 |
| 9.55 | OCHEM | 0 » -1 |
| 9.55 | OCHEM | 0 » -1 |
| 9.55 | OCHEM | 0 » -1 |
| 9.55 | QSARToolbox | 0 » -1 |
| 9.55 | QSARToolbox | 0 » -1 |
| 9.55 | QSARToolbox | 0 » -1 |