Molecule ID: mol18879
SMILES: CS(=O)(=O)Nc1ccncc1Oc1ccc(Br)cc1
InChI: InChI=1S/C12H11BrN2O3S/c1-19(16,17)15-11-6-7-14-8-12(11)18-10-4-2-9(13)3-5-10/h2-8H,1H3,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | OCHEM | 1 » 0 |
| 7.86 | OCHEM | 0 » -1 |
| 7.86 | Baltruschat ChEMBL | 0 » -1 |