Molecule ID: mol18878
SMILES: CS(=O)(=O)Nc1ccncc1Oc1ccc(Cl)cc1Cl
InChI: InChI=1S/C12H10Cl2N2O3S/c1-20(17,18)16-10-4-5-15-7-12(10)19-11-3-2-8(13)6-9(11)14/h2-7H,1H3,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | OCHEM | 1 » 0 |
| 7.81 | OCHEM | 0 » -1 |
| 7.81 | Baltruschat ChEMBL | 0 » -1 |