Molecule ID: mol2152
SMILES: Oc1cccc(-c2ccccc2)c1
InChI: InChI=1S/C12H10O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.50 | QSARToolbox | 0 » -1 |
| 9.50 | QSARToolbox | 0 » -1 |
| 9.59 | Datawarrior | 0 » -1 |
| 9.59 | QSARToolbox | 0 » -1 |
| 9.59 | OCHEM | 0 » -1 |
| 9.63 | OCHEM | 0 » -1 |
| 9.63 | OCHEM | 0 » -1 |
| 9.63 | AttenGpKa training set | 0 » -1 |
| 9.63 | QSARToolbox | 0 » -1 |
| 9.63 | QSARToolbox | 0 » -1 |
| 9.64 | OCHEM | 0 » -1 |
| 9.64 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.64 | OCHEM | 0 » -1 |
| 9.64 | OCHEM | 0 » -1 |
| 9.64 | OCHEM | 0 » -1 |
| 9.64 | Hunt | 0 » -1 |
| 9.64 | OCHEM | 0 » -1 |
| 9.64 | OCHEM | 0 » -1 |
| 9.64 | QSARToolbox | 0 » -1 |
| 9.64 | QSARToolbox | 0 » -1 |
| 9.64 | QSARToolbox | 0 » -1 |