Molecule ID: mol2748
SMILES: CCC/C(=N\OCC)C1C(=O)CC(C2CCCSC2)CC1=O
InChI: InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,17H,3-11H2,1-2H3/b18-14+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.04 | Caine | 0 » -1 |
| 4.51 | Caine | 0 » -1 |