Molecule ID: mol940
SMILES: CCCC[C@@H](CC)CON(C[C@@H](C)O)C[C@@H](C)O
InChI: InChI=1S/C14H31NO3/c1-5-7-8-14(6-2)11-18-15(9-12(3)16)10-13(4)17/h12-14,16-17H,5-11H2,1-4H3/t12-,13-,14-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.70 | OCHEM | 1 » 0 |
| 7.70 | Hunt | 1 » 0 |