Molecule ID: mol222
SMILES: CC(=O)N1CCNCC1
InChI: InChI=1S/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.90 | OCHEM | 1 » 0 |
| 7.90 | OCHEM | 1 » 0 |
| 7.90 | Hunt | 1 » 0 |
| 7.90 | Settimo | 1 » 0 |
| 7.94 | IUPAC digitized pKa | 1 » 0 |
| 7.94 | Datawarrior | 1 » 0 |
| 7.94 | OCHEM | 1 » 0 |
| 7.94 | AttenGpKa training set | 1 » 0 |
| 7.94 | QSARToolbox | 1 » 0 |
| 7.94 | QSARToolbox | 1 » 0 |
| 7.94 | OCHEM | 1 » 0 |