Molecule ID: mol2544
SMILES: COC(=O)CCCN
InChI: InChI=1S/C5H11NO2/c1-8-5(7)3-2-4-6/h2-4,6H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.09 | IUPAC digitized pKa | 1 » 0 |
| 9.46 | IUPAC digitized pKa | 1 » 0 |
| 9.71 | AttenGpKa training set | 1 » 0 |
| 9.84 | OCHEM | 1 » 0 |
| 9.84 | Hunt | 1 » 0 |
| 9.84 | IUPAC digitized pKa | 1 » 0 |