Molecule ID: mol225
SMILES: CCOC(=O)CCCN
InChI: InChI=1S/C6H13NO2/c1-2-9-6(8)4-3-5-7/h2-5,7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.70 | OCHEM | 1 » 0 |
| 9.70 | Settimo | 1 » 0 |
| 9.70 | AttenGpKa training set | 1 » 0 |
| 9.71 | IUPAC digitized pKa | 1 » 0 |
| 9.71 | Datawarrior | 1 » 0 |
| 9.71 | OCHEM | 1 » 0 |