Molecule ID: mol16627
SMILES: COCCCNCc1cc2cc(S(N)(=O)=O)sc2s1
InChI: InChI=1S/C11H16N2O3S3/c1-16-4-2-3-13-7-9-5-8-6-10(19(12,14)15)18-11(8)17-9/h5-6,13H,2-4,7H2,1H3,(H2,12,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.52 | OCHEM | 1 » 0 |
| 7.52 | Baltruschat ChEMBL | 1 » 0 |