Molecule ID: mol13185
SMILES: ClCC1CC2CCN1CC2
InChI: InChI=1S/C8H14ClN/c9-6-8-5-7-1-3-10(8)4-2-7/h7-8H,1-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.68 | Datawarrior | 1 » 0 |
| 9.68 | AttenGpKa training set | 1 » 0 |
| 9.68 | OCHEM | 1 » 0 |
| 9.68 | QSARToolbox | 1 » 0 |