Molecule ID: mol3554
SMILES: CCC1CN1CC
InChI: InChI=1S/C6H13N/c1-3-6-5-7(6)4-2/h6H,3-5H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.18 | IUPAC digitized pKa | 1 » 0 |
| 8.18 | OCHEM | 1 » 0 |
| 8.18 | AttenGpKa training set | 1 » 0 |
| 8.18 | QSARToolbox | 1 » 0 |
| 8.19 | OCHEM | 1 » 0 |
| 8.19 | Datawarrior | 1 » 0 |