Molecule ID: mol3042
SMILES: CCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChI: InChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.56 | QSARToolbox | 1 » 0 |
| 3.56 | OCHEM | 1 » 0 |
| 3.56 | AvLiLuMoVe | 1 » 0 |