Molecule ID: mol2750
SMILES: CCC/C(=N\OCC)C1C(=O)CC(CC(C)SCC)CC1=O
InChI: InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,17H,5-11H2,1-4H3/b18-14+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.48 | Caine | 0 » -1 |
| 4.58 | Caine | 0 » -1 |