Molecule ID: mol13128
SMILES: C=CC(=O)OCCN(C)C
InChI: InChI=1S/C7H13NO2/c1-4-7(9)10-6-5-8(2)3/h4H,1,5-6H2,2-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.90 | Datawarrior | 1 » 0 |
| 7.90 | QSARToolbox | 1 » 0 |
| 7.90 | OCHEM | 1 » 0 |
| 8.60 | Baltruschat ChEMBL | 1 » 0 |