Molecule ID: mol17668
SMILES: NCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChI: InChI=1S/C24H26N4O2S/c25-16-6-1-7-17-31(29,30)28-19-14-12-18(13-15-19)26-24-20-8-2-4-10-22(20)27-23-11-5-3-9-21(23)24/h2-5,8-15,28H,1,6-7,16-17,25H2,(H,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.92 | Baltruschat ChEMBL | 2 » 1 |