Molecule ID: mol17690
SMILES: N=C(N)NCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1
InChI: InChI=1S/C24H25N7O4S/c25-24(26)27-13-3-4-14-36(34,35)30-17-9-7-16(8-10-17)28-23-19-5-1-2-6-21(19)29-22-15-18(31(32)33)11-12-20(22)23/h1-2,5-12,15,30H,3-4,13-14H2,(H,28,29)(H4,25,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.36 | Baltruschat ChEMBL | 2 » 1 |