Molecule ID: mol16634
SMILES: C[S+]([O-])CCNCc1cc2cc(S(N)(=O)=O)sc2s1
InChI: InChI=1S/C10H14N2O3S4/c1-18(13)3-2-12-6-8-4-7-5-9(19(11,14)15)17-10(7)16-8/h4-5,12H,2-3,6H2,1H3,(H2,11,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.58 | OCHEM | 1 » 0 |
| 5.58 | Baltruschat ChEMBL | 1 » 0 |