Molecule ID: mol21185
SMILES: CCN(CC)Cc1cc(C(=O)c2csc(S(N)(=O)=O)c2)ccc1O
InChI: InChI=1S/C16H20N2O4S2/c1-3-18(4-2)9-12-7-11(5-6-14(12)19)16(20)13-8-15(23-10-13)24(17,21)22/h5-8,10,19H,3-4,9H2,1-2H3,(H2,17,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.10 | Baltruschat ChEMBL | 1 » 0 |
| 9.22 | Baltruschat ChEMBL | 0 » -1 |
| 10.55 | Baltruschat ChEMBL | 0 » -1 |