Molecule ID: mol17692
SMILES: N=C(N)NCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1
InChI: InChI=1S/C26H29N7O4S/c27-26(28)29-15-5-1-2-6-16-38(36,37)32-19-11-9-18(10-12-19)30-25-21-7-3-4-8-23(21)31-24-17-20(33(34)35)13-14-22(24)25/h3-4,7-14,17,32H,1-2,5-6,15-16H2,(H,30,31)(H4,27,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.35 | Baltruschat ChEMBL | 2 » 1 |