Molecule ID: mol19379
SMILES: CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OC)c1
InChI: InChI=1S/C23H23N3O3S/c1-3-14-30(27,28)26-16-12-13-21(22(15-16)29-2)25-23-17-8-4-6-10-19(17)24-20-11-7-5-9-18(20)23/h4-13,15,26H,3,14H2,1-2H3,(H,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.41 | Baltruschat ChEMBL | 1 » 0 |