Molecule ID: mol11275
SMILES: Oc1ccc(Cl)c2ccccc12
InChI: InChI=1S/C10H7ClO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.64 | Datawarrior | 0 » -1 |
| 8.64 | OCHEM | 0 » -1 |
| 8.64 | QSARToolbox | 0 » -1 |
| 8.86 | QSARToolbox | 0 » -1 |
| 8.86 | QSARToolbox | 0 » -1 |
| 8.86 | IUPAC digitized pKa | 0 » -1 |
| 8.86 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 8.86 | OCHEM | 0 » -1 |