Molecule ID: mol16960
SMILES: CCCOC(=O)[C@@H](N)CCC(=O)NCCSC(C)=O
InChI: InChI=1S/C12H22N2O4S/c1-3-7-18-12(17)10(13)4-5-11(16)14-6-8-19-9(2)15/h10H,3-8,13H2,1-2H3,(H,14,16)/t10-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.80 | Baltruschat ChEMBL | 1 » 0 |