Molecule ID: mol21650
SMILES: Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N
InChI: InChI=1S/C19H13ClN6O3S2/c1-26-16(6-7-23-26)15-9-13(20)2-4-18(15)29-17-5-3-14(8-12(17)10-21)31(27,28)25-19-22-11-24-30-19/h2-9,11H,1H3,(H,22,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | Baltruschat ChEMBL | 0 » -1 |