Molecule ID: mol18072
SMILES: CCNCc1cc2cc(S(N)(=O)=O)oc2s1
InChI: InChI=1S/C9H12N2O3S2/c1-2-11-5-7-3-6-4-8(16(10,12)13)14-9(6)15-7/h3-4,11H,2,5H2,1H3,(H2,10,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.05 | Baltruschat ChEMBL | 1 » 0 |
| 9.55 | Baltruschat ChEMBL | 0 » -1 |