Molecule ID: mol18069
SMILES: COCCCNCc1cc2cc(S(N)(=O)=O)oc2s1
InChI: InChI=1S/C11H16N2O4S2/c1-16-4-2-3-13-7-9-5-8-6-10(19(12,14)15)17-11(8)18-9/h5-6,13H,2-4,7H2,1H3,(H2,12,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.25 | Baltruschat ChEMBL | 1 » 0 |
| 9.00 | Baltruschat ChEMBL | 0 » -1 |