Molecule ID: mol16639
SMILES: CC(C)(C)NCc1cc2cc(S(N)(=O)=O)sc2s1
InChI: InChI=1S/C11H16N2O2S3/c1-11(2,3)13-6-8-4-7-5-9(18(12,14)15)17-10(7)16-8/h4-5,13H,6H2,1-3H3,(H2,12,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.28 | OCHEM | 1 » 0 |
| 8.28 | Baltruschat ChEMBL | 1 » 0 |