Molecule ID: mol4478
SMILES: N#CC1CN2CCC1CC2
InChI: InChI=1S/C8H12N2/c9-5-8-6-10-3-1-7(8)2-4-10/h7-8H,1-4,6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.81 | QSARToolbox | 1 » 0 |
| 7.85 | OCHEM | 1 » 0 |
| 7.85 | Datawarrior | 1 » 0 |
| 7.89 | QSARToolbox | 1 » 0 |
| 7.89 | AttenGpKa training set | 1 » 0 |