Molecule ID: mol19393
SMILES: CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(OC)ccc23)c(OC)c1
InChI: InChI=1S/C25H27N3O4S/c1-4-5-14-33(29,30)28-17-10-13-22(24(15-17)32-3)27-25-19-8-6-7-9-21(19)26-23-16-18(31-2)11-12-20(23)25/h6-13,15-16,28H,4-5,14H2,1-3H3,(H,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.35 | Baltruschat ChEMBL | 1 » 0 |