Molecule ID: mol17672
SMILES: NCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1
InChI: InChI=1S/C23H23N5O4S/c24-13-3-4-14-33(31,32)27-17-9-7-16(8-10-17)25-23-19-5-1-2-6-21(19)26-22-15-18(28(29)30)11-12-20(22)23/h1-2,5-12,15,27H,3-4,13-14,24H2,(H,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.34 | Baltruschat ChEMBL | 2 » 1 |