Molecule ID: mol19412
SMILES: CCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)c(OC)c1
InChI: InChI=1S/C27H30N4O5S/c1-3-4-5-6-9-16-37(34,35)30-19-12-15-24(26(17-19)36-2)29-27-21-10-7-8-11-23(21)28-25-18-20(31(32)33)13-14-22(25)27/h7-8,10-15,17-18,30H,3-6,9,16H2,1-2H3,(H,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.69 | Baltruschat ChEMBL | 1 » 0 |