Molecule ID: mol17691
SMILES: N=C(N)NCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1
InChI: InChI=1S/C25H27N7O4S/c26-25(27)28-14-4-1-5-15-37(35,36)31-18-10-8-17(9-11-18)29-24-20-6-2-3-7-22(20)30-23-16-19(32(33)34)12-13-21(23)24/h2-3,6-13,16,31H,1,4-5,14-15H2,(H,29,30)(H4,26,27,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.36 | Baltruschat ChEMBL | 2 » 1 |