Molecule ID: mol997
SMILES: CN(C)c1cccc(Cl)c1
InChI: InChI=1S/C8H10ClN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.83 | OCHEM | 1 » 0 |
| 3.83 | QSARToolbox | 1 » 0 |
| 3.83 | Datawarrior | 1 » 0 |
| 3.83 | AttenGpKa training set | 1 » 0 |
| 3.84 | QSARToolbox | 1 » 0 |
| 3.84 | IUPAC digitized pKa | 1 » 0 |
| 3.84 | OCHEM | 1 » 0 |
| 3.87 | Hunt | 1 » 0 |