Molecule ID: mol4389
SMILES: COc1ccc2nccc(Cl)c2c1
InChI: InChI=1S/C10H8ClNO/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.93 | IUPAC digitized pKa | 1 » 0 |
| 3.93 | OCHEM | 1 » 0 |
| 3.93 | AttenGpKa training set | 1 » 0 |
| 3.93 | QSARToolbox | 1 » 0 |