Molecule ID: mol16630
SMILES: CC(C=O)N(Cc1cc2cc(S(N)(=O)=O)sc2s1)C(C)C=O
InChI: InChI=1S/C13H16N2O4S3/c1-8(6-16)15(9(2)7-17)5-11-3-10-4-12(22(14,18)19)21-13(10)20-11/h3-4,6-9H,5H2,1-2H3,(H2,14,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.75 | OCHEM | 1 » 0 |
| 5.75 | Baltruschat ChEMBL | 1 » 0 |