Molecule ID: mol19383
SMILES: CCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OC)c1
InChI: InChI=1S/C27H31N3O3S/c1-3-4-5-6-11-18-34(31,32)30-20-16-17-25(26(19-20)33-2)29-27-21-12-7-9-14-23(21)28-24-15-10-8-13-22(24)27/h7-10,12-17,19,30H,3-6,11,18H2,1-2H3,(H,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.42 | Baltruschat ChEMBL | 1 » 0 |