Molecule ID: mol20728
SMILES: CN(C)CCS/C(=N\O)C(=O)c1ccc(Cl)cc1
InChI: InChI=1S/C12H15ClN2O2S/c1-15(2)7-8-18-12(14-17)11(16)9-3-5-10(13)6-4-9/h3-6,17H,7-8H2,1-2H3/b14-12-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.57 | OCHEM | 1 » 0 |
| 7.57 | Baltruschat ChEMBL | 1 » 0 |