Molecule ID: mol18875
SMILES: CCS(=O)(=O)Nc1ccncc1Oc1ccc(Cl)cc1
InChI: InChI=1S/C13H13ClN2O3S/c1-2-20(17,18)16-12-7-8-15-9-13(12)19-11-5-3-10(14)4-6-11/h3-9H,2H2,1H3,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | OCHEM | 1 » 0 |
| 7.98 | OCHEM | 0 » -1 |
| 7.98 | Baltruschat ChEMBL | 0 » -1 |