Molecule ID: mol14257
SMILES: CN(CO)c1ccc(Cl)cc1
InChI: InChI=1S/C8H10ClNO/c1-10(6-11)8-4-2-7(9)3-5-8/h2-5,11H,6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.02 | QSARToolbox | 1 » 0 |
| 3.02 | Datawarrior | 1 » 0 |
| 3.02 | OCHEM | 1 » 0 |
| 3.02 | AttenGpKa training set | 1 » 0 |