Molecule ID: mol22484
SMILES: CSCC[C@H](NC(=O)/C(C)=N/O)C(=O)O
InChI: InChI=1S/C8H14N2O4S/c1-5(10-14)7(11)9-6(8(12)13)3-4-15-2/h6,14H,3-4H2,1-2H3,(H,9,11)(H,12,13)/b10-5+/t6-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.21 | AttenGpKa training set | 0 » -1 |
| 10.12 | AttenGpKa training set | -1 » -2 |