Molecule ID: mol11805
SMILES: CN(C)Cc1cc(Cl)cc(CN(C)C)c1O
InChI: InChI=1S/C12H19ClN2O/c1-14(2)7-9-5-11(13)6-10(12(9)16)8-15(3)4/h5-6,16H,7-8H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | OCHEM | 2 » 1 |
| 5.20 | QSARToolbox | 2 » 1 |
| 5.20 | IUPAC digitized pKa | 2 » 1 |
| 5.20 | Datawarrior | 2 » 1 |
| 5.20 | AttenGpKa training set | 2 » 1 |