Molecule ID: mol1795
SMILES: CCOC(=O)[C@@H](N)CC(C)C
InChI: InChI=1S/C8H17NO2/c1-4-11-8(10)7(9)5-6(2)3/h6-7H,4-5,9H2,1-3H3/t7-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.06 | IUPAC digitized pKa | 1 » 0 |
| 7.35 | IUPAC digitized pKa | 1 » 0 |
| 7.57 | IUPAC digitized pKa | 1 » 0 |
| 7.57 | OCHEM | 1 » 0 |
| 7.57 | Hunt | 1 » 0 |
| 7.62 | QSARToolbox | 1 » 0 |
| 7.63 | AttenGpKa training set | 1 » 0 |
| 7.66 | IUPAC digitized pKa | 1 » 0 |