Molecule ID: mol18074
SMILES: NS(=O)(=O)c1cc2cc(CNCCCCO)sc2o1
InChI: InChI=1S/C11H16N2O4S2/c12-19(15,16)10-6-8-5-9(18-11(8)17-10)7-13-3-1-2-4-14/h5-6,13-14H,1-4,7H2,(H2,12,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.65 | Baltruschat ChEMBL | 1 » 0 |
| 9.16 | Baltruschat ChEMBL | 0 » -1 |