Molecule ID: mol13186
SMILES: ClCC1CN2CCC1CC2
InChI: InChI=1S/C8H14ClN/c9-5-8-6-10-3-1-7(8)2-4-10/h7-8H,1-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.15 | QSARToolbox | 1 » 0 |
| 10.15 | Datawarrior | 1 » 0 |
| 10.15 | OCHEM | 1 » 0 |
| 10.15 | AttenGpKa training set | 1 » 0 |