Molecule ID: mol8554
SMILES: COC(=O)[C@@H](N)CC(C)C
InChI: InChI=1S/C7H15NO2/c1-5(2)4-6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t6-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.62 | IUPAC digitized pKa | 1 » 0 |
| 7.63 | IUPAC digitized pKa | 1 » 0 |
| 7.75 | QSARToolbox | 1 » 0 |