Molecule ID: mol3044
SMILES: CCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChI: InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.65 | OCHEM | 1 » 0 |
| 3.65 | AvLiLuMoVe | 1 » 0 |