Molecule ID: mol4390
SMILES: COc1ccc2c(Cl)ccnc2c1
InChI: InChI=1S/C10H8ClNO/c1-13-7-2-3-8-9(11)4-5-12-10(8)6-7/h2-6H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.32 | IUPAC digitized pKa | 1 » 0 |
| 4.32 | OCHEM | 1 » 0 |
| 4.32 | AttenGpKa training set | 1 » 0 |
| 4.32 | QSARToolbox | 1 » 0 |