Molecule ID: mol21651
SMILES: Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1F
InChI: InChI=1S/C18H13ClFN5O3S2/c1-25-15(6-7-22-25)13-8-11(19)2-4-16(13)28-17-5-3-12(9-14(17)20)30(26,27)24-18-21-10-23-29-18/h2-10H,1H3,(H,21,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | Baltruschat ChEMBL | 0 » -1 |