Molecule ID: mol13597
SMILES: CC1CN(C)CCN1C
InChI: InChI=1S/C7H16N2/c1-7-6-8(2)4-5-9(7)3/h7H,4-6H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.93 | Datawarrior | 2 » 1 |
| 3.94 | AttenGpKa training set | 2 » 1 |
| 5.64 | QSARToolbox | 2 » 1 |
| 8.34 | AttenGpKa training set | 1 » 0 |
| 8.36 | OCHEM | 1 » 0 |
| 8.36 | Datawarrior | 1 » 0 |
| 10.06 | QSARToolbox | 1 » 0 |