Molecule ID: mol20727
SMILES: COc1ccc(C(=O)/C(=N/O)SCC[N+](C)(C)C)cc1
InChI: InChI=1S/C14H20N2O3S/c1-16(2,3)9-10-20-14(15-18)13(17)11-5-7-12(19-4)8-6-11/h5-8H,9-10H2,1-4H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.71 | OCHEM | 1 » 0 |
| 7.71 | Baltruschat ChEMBL | 1 » 0 |