Molecule ID: mol17686
SMILES: NCC(=O)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1
InChI: InChI=1S/C23H22N6O5S/c24-14-22(30)25-11-12-35(33,34)28-16-7-5-15(6-8-16)26-23-18-3-1-2-4-20(18)27-21-13-17(29(31)32)9-10-19(21)23/h1-10,13,28H,11-12,14,24H2,(H,25,30)(H,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.34 | Baltruschat ChEMBL | 2 » 1 |