Molecule ID: mol21730
SMILES: Oc1ccc(-c2ccccc2)cc1Cl
InChI: InChI=1S/C12H9ClO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.07 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.07 | AttenGpKa training set | 0 » -1 |