Molecule ID: mol20729
SMILES: COc1ccc(C(=O)/C(=N/O)SCCN(C)C)cc1
InChI: InChI=1S/C13H18N2O3S/c1-15(2)8-9-19-13(14-17)12(16)10-4-6-11(18-3)7-5-10/h4-7,17H,8-9H2,1-3H3/b14-13-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.88 | OCHEM | 1 » 0 |
| 7.88 | Baltruschat ChEMBL | 1 » 0 |
| 8.00 | OCHEM | 1 » 0 |