Molecule ID: mol17665
SMILES: NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChI: InChI=1S/C21H20N4O2S/c22-13-14-28(26,27)25-16-11-9-15(10-12-16)23-21-17-5-1-3-7-19(17)24-20-8-4-2-6-18(20)21/h1-12,25H,13-14,22H2,(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.62 | Baltruschat ChEMBL | 2 » 1 |