Molecule ID: mol4385
SMILES: CCOc1ccc2nccc(Cl)c2c1
InChI: InChI=1S/C11H10ClNO/c1-2-14-8-3-4-11-9(7-8)10(12)5-6-13-11/h3-7H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.82 | QSARToolbox | 1 » 0 |
| 3.82 | IUPAC digitized pKa | 1 » 0 |
| 3.82 | OCHEM | 1 » 0 |
| 3.82 | AttenGpKa training set | 1 » 0 |