Molecule ID: mol19410
SMILES: CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)c(OC)c1
InChI: InChI=1S/C25H26N4O5S/c1-3-4-7-14-35(32,33)28-17-10-13-22(24(15-17)34-2)27-25-19-8-5-6-9-21(19)26-23-16-18(29(30)31)11-12-20(23)25/h5-6,8-13,15-16,28H,3-4,7,14H2,1-2H3,(H,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.69 | Baltruschat ChEMBL | 1 » 0 |