Molecule ID: mol13331
SMILES: C=C(C)C(=O)OCCN(C)CCCC
InChI: InChI=1S/C11H21NO2/c1-5-6-7-12(4)8-9-14-11(13)10(2)3/h2,5-9H2,1,3-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.72 | QSARToolbox | 1 » 0 |
| 8.27 | Datawarrior | 1 » 0 |
| 8.27 | OCHEM | 1 » 0 |
| 8.28 | QSARToolbox | 1 » 0 |