Molecule ID: mol8512
SMILES: CCOC(=O)CCSC[C@H](N)C(=O)O
InChI: InChI=1S/C8H15NO4S/c1-2-13-7(10)3-4-14-5-6(9)8(11)12/h6H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.65 | QSARToolbox | 0 » -1 |
| 8.65 | IUPAC digitized pKa | 0 » -1 |