Molecule ID: mol213
SMILES: CCOC(=O)CCN
InChI: InChI=1S/C5H11NO2/c1-2-8-5(7)3-4-6/h2-4,6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.06 | IUPAC digitized pKa | 1 » 0 |
| 9.10 | OCHEM | 1 » 0 |
| 9.10 | OCHEM | 1 » 0 |
| 9.10 | Hunt | 1 » 0 |
| 9.10 | Settimo | 1 » 0 |
| 9.13 | Datawarrior | 1 » 0 |
| 9.13 | AttenGpKa training set | 1 » 0 |
| 9.13 | OCHEM | 1 » 0 |
| 9.13 | QSARToolbox | 1 » 0 |