Molecule ID: mol12992
SMILES: CNC(=O)C1CCCCN1
InChI: InChI=1S/C7H14N2O/c1-8-7(10)6-4-2-3-5-9-6/h6,9H,2-5H2,1H3,(H,8,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.80 | Datawarrior | 1 » 0 |
| 8.80 | AttenGpKa training set | 1 » 0 |
| 8.80 | QSARToolbox | 1 » 0 |
| 8.80 | OCHEM | 1 » 0 |