Molecule ID: mol20944
SMILES: Nc1cc(S(N)(=O)=O)ccc1S(=O)(=O)CCCO
InChI: InChI=1S/C9H14N2O5S2/c10-8-6-7(18(11,15)16)2-3-9(8)17(13,14)5-1-4-12/h2-3,6,12H,1,4-5,10H2,(H2,11,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.15 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.15 | Baltruschat ChEMBL | 0 » -1 |