Molecule ID: mol18606
SMILES: CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
InChI: InChI=1S/C21H19N3O2S/c1-2-27(25,26)24-16-13-11-15(12-14-16)22-21-17-7-3-5-9-19(17)23-20-10-6-4-8-18(20)21/h3-14,24H,2H2,1H3,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.19 | Baltruschat ChEMBL | 1 » 0 |
| 7.19 | Baltruschat ChEMBL | 1 » 0 |