Molecule ID: mol14283
SMILES: C=CCN(CC=C)CCOC(=O)C(=C)C
InChI: InChI=1S/C12H19NO2/c1-5-7-13(8-6-2)9-10-15-12(14)11(3)4/h5-6H,1-3,7-10H2,4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.93 | QSARToolbox | 1 » 0 |
| 7.02 | Datawarrior | 1 » 0 |
| 7.02 | OCHEM | 1 » 0 |
| 7.07 | QSARToolbox | 1 » 0 |