Molecule ID: mol3128
SMILES: CCN(Cl)CC
InChI: InChI=1S/C4H10ClN/c1-3-6(5)4-2/h3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | AttenGpKa training set | 1 » 0 |
| 1.02 | IUPAC digitized pKa | 1 » 0 |
| 1.02 | Datawarrior | 1 » 0 |
| 1.02 | OCHEM | 1 » 0 |
| 1.02 | OCHEM | 1 » 0 |
| 1.20 | QSARToolbox | 1 » 0 |