Molecule ID: mol2346
SMILES: Oc1cc(-c2ccccc2)ccc1Cl
InChI: InChI=1S/C12H9ClO/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-8,14H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.07 | Hunt | 0 » -1 |
| 8.07 | OCHEM | 0 » -1 |
| 8.70 | QSARToolbox | 0 » -1 |
| 8.70 | QSARToolbox | 0 » -1 |