Molecule ID: mol37963
SMILES: O=S(=O)(O)Cc1ccc(CNCCN(Cc2ccccn2)Cc2ccccn2)cc1
InChI: InChI=1S/C22H26N4O3S/c27-30(28,29)18-20-9-7-19(8-10-20)15-23-13-14-26(16-21-5-1-3-11-24-21)17-22-6-2-4-12-25-22/h1-12,23H,13-18H2,(H,27,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.09 | QSARToolbox | 0 » -1 |