Molecule ID: mol20722
SMILES: Cc1ccc(C(=O)/C(=N/O)SCC[N+](C)(C)C)cc1
InChI: InChI=1S/C14H20N2O2S/c1-11-5-7-12(8-6-11)13(17)14(15-18)19-10-9-16(2,3)4/h5-8H,9-10H2,1-4H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.57 | OCHEM | 1 » 0 |
| 7.57 | Baltruschat ChEMBL | 1 » 0 |