Molecule ID: mol17667
SMILES: NCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChI: InChI=1S/C23H24N4O2S/c24-15-5-6-16-30(28,29)27-18-13-11-17(12-14-18)25-23-19-7-1-3-9-21(19)26-22-10-4-2-8-20(22)23/h1-4,7-14,27H,5-6,15-16,24H2,(H,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.91 | Baltruschat ChEMBL | 2 » 1 |