Molecule ID: mol8492
SMILES: COC(=O)CCN
InChI: InChI=1S/C4H9NO2/c1-7-4(6)2-3-5/h2-3,5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.45 | IUPAC digitized pKa | 1 » 0 |
| 8.80 | IUPAC digitized pKa | 1 » 0 |
| 9.13 | AttenGpKa training set | 1 » 0 |
| 9.17 | IUPAC digitized pKa | 1 » 0 |