Molecule ID: mol13533
SMILES: CC1CN2CCC1CC2
InChI: InChI=1S/C8H15N/c1-7-6-9-4-2-8(7)3-5-9/h7-8H,2-6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.29 | QSARToolbox | 1 » 0 |
| 11.29 | Datawarrior | 1 » 0 |
| 11.29 | OCHEM | 1 » 0 |
| 11.29 | AttenGpKa training set | 1 » 0 |