Molecule ID: mol235
SMILES: CCOC(=O)N1CCNCC1
InChI: InChI=1S/C7H14N2O2/c1-2-11-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | OCHEM | 1 » 0 |
| 8.20 | OCHEM | 1 » 0 |
| 8.20 | Hunt | 1 » 0 |
| 8.20 | Settimo | 1 » 0 |
| 8.20 | AttenGpKa training set | 1 » 0 |
| 8.23 | QSARToolbox | 1 » 0 |
| 8.25 | IUPAC digitized pKa | 1 » 0 |
| 8.25 | QSARToolbox | 1 » 0 |
| 8.28 | OCHEM | 1 » 0 |
| 8.28 | QSARToolbox | 1 » 0 |
| 8.28 | Datawarrior | 1 » 0 |