Molecule ID: mol18876
SMILES: O=S(=O)(Nc1ccncc1Oc1ccc(Cl)cc1)C(F)(F)F
InChI: InChI=1S/C12H8ClF3N2O3S/c13-8-1-3-9(4-2-8)21-11-7-17-6-5-10(11)18-22(19,20)12(14,15)16/h1-7H,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | OCHEM | 1 » 0 |
| 6.71 | OCHEM | 0 » -1 |
| 6.71 | Baltruschat ChEMBL | 0 » -1 |