Molecule ID: mol13540
SMILES: ClC1CN2CCC1CC2
InChI: InChI=1S/C7H12ClN/c8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.80 | QSARToolbox | 1 » 0 |
| 8.58 | QSARToolbox | 1 » 0 |
| 8.79 | Datawarrior | 1 » 0 |
| 8.79 | OCHEM | 1 » 0 |
| 8.82 | AttenGpKa training set | 1 » 0 |
| 8.85 | QSARToolbox | 1 » 0 |
| 8.86 | QSARToolbox | 1 » 0 |
| 8.96 | QSARToolbox | 1 » 0 |
| 9.00 | QSARToolbox | 1 » 0 |
| 9.00 | QSARToolbox | 1 » 0 |