Molecule ID: mol17674
SMILES: NCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1
InChI: InChI=1S/C25H27N5O4S/c26-15-5-1-2-6-16-35(33,34)29-19-11-9-18(10-12-19)27-25-21-7-3-4-8-23(21)28-24-17-20(30(31)32)13-14-22(24)25/h3-4,7-14,17,29H,1-2,5-6,15-16,26H2,(H,27,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.34 | Baltruschat ChEMBL | 2 » 1 |