Molecule ID: mol18881
SMILES: CS(=O)(=O)Nc1ccncc1Oc1cccc(Cl)c1
InChI: InChI=1S/C12H11ClN2O3S/c1-19(16,17)15-11-5-6-14-8-12(11)18-10-4-2-3-9(13)7-10/h2-8H,1H3,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | OCHEM | 1 » 0 |
| 7.74 | OCHEM | 0 » -1 |
| 7.74 | Baltruschat ChEMBL | 0 » -1 |