Molecule ID: mol4477
SMILES: NC(=O)C1CN2CCC1CC2
InChI: InChI=1S/C8H14N2O/c9-8(11)7-5-10-3-1-6(7)2-4-10/h6-7H,1-5H2,(H2,9,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.67 | QSARToolbox | 1 » 0 |
| 9.74 | OCHEM | 1 » 0 |
| 9.74 | Datawarrior | 1 » 0 |
| 9.82 | QSARToolbox | 1 » 0 |
| 9.82 | AttenGpKa training set | 1 » 0 |