Molecule ID: mol21174
SMILES: NS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2CNCc2ccccn2)cs1
InChI: InChI=1S/C17H17N3O4S3/c18-27(23,24)17-9-15(12-25-17)26(21,22)16-7-2-1-5-13(16)10-19-11-14-6-3-4-8-20-14/h1-9,12,19H,10-11H2,(H2,18,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.10 | Baltruschat ChEMBL | 1 » 0 |
| 8.70 | Baltruschat ChEMBL | 0 » -1 |