Molecule ID: mol17671
SMILES: NCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1
InChI: InChI=1S/C22H21N5O4S/c23-12-3-13-32(30,31)26-16-8-6-15(7-9-16)24-22-18-4-1-2-5-20(18)25-21-14-17(27(28)29)10-11-19(21)22/h1-2,4-11,14,26H,3,12-13,23H2,(H,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.33 | Baltruschat ChEMBL | 2 » 1 |