Molecule ID: mol204
SMILES: COCCN(C)C
InChI: InChI=1S/C5H13NO/c1-6(2)4-5-7-3/h4-5H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.96 | IUPAC digitized pKa | 1 » 0 |
| 8.96 | Datawarrior | 1 » 0 |
| 8.96 | OCHEM | 1 » 0 |
| 8.96 | AttenGpKa training set | 1 » 0 |
| 9.00 | OCHEM | 1 » 0 |
| 9.00 | Settimo | 1 » 0 |