Molecule ID: mol5249
SMILES: CCOC(=O)[C@H](C)N
InChI: InChI=1S/C5H11NO2/c1-3-8-5(7)4(2)6/h4H,3,6H2,1-2H3/t4-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.74 | IUPAC digitized pKa | 1 » 0 |
| 7.80 | IUPAC digitized pKa | 1 » 0 |
| 7.80 | AttenGpKa training set | 1 » 0 |