Molecule ID: mol5868
SMILES: CC(O)CN
InChI: InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.54 | IUPAC digitized pKa | 1 » 0 |
| 8.79 | IUPAC digitized pKa | 1 » 0 |
| 9.05 | IUPAC digitized pKa | 1 » 0 |
| 9.32 | IUPAC digitized pKa | 1 » 0 |
| 9.47 | AttenGpKa training set | 1 » 0 |
| 9.62 | IUPAC digitized pKa | 1 » 0 |
| 9.62 | OCHEM | 1 » 0 |
| 9.94 | IUPAC digitized pKa | 1 » 0 |
| 9.94 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 10.28 | IUPAC digitized pKa | 1 » 0 |