Molecule ID: mol13612
SMILES: NC(=O)C1CCCCN1
InChI: InChI=1S/C6H12N2O/c7-6(9)5-3-1-2-4-8-5/h5,8H,1-4H2,(H2,7,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.90 | OCHEM | 1 » 0 |
| 8.90 | QSARToolbox | 1 » 0 |
| 8.90 | Datawarrior | 1 » 0 |
| 8.90 | AttenGpKa training set | 1 » 0 |