Molecule ID: mol18588
SMILES: CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(C#N)ccc23)cc1
InChI: InChI=1S/C21H16N4O2S/c1-28(26,27)25-16-9-7-15(8-10-16)23-21-17-4-2-3-5-19(17)24-20-12-14(13-22)6-11-18(20)21/h2-12,25H,1H3,(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.75 | Baltruschat ChEMBL | 1 » 0 |
| 5.75 | Baltruschat ChEMBL | 1 » 0 |
| 5.75 | Baltruschat ChEMBL | 1 » 0 |