Molecule ID: mol18067
SMILES: CCCNCc1cc2cc(S(N)(=O)=O)oc2s1
InChI: InChI=1S/C10H14N2O3S2/c1-2-3-12-6-8-4-7-5-9(17(11,13)14)15-10(7)16-8/h4-5,12H,2-3,6H2,1H3,(H2,11,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.85 | Baltruschat ChEMBL | 1 » 0 |
| 9.40 | Baltruschat ChEMBL | 0 » -1 |