Molecule ID: mol20739
SMILES: C[N+](C)(C)CCS/C(=N\O)C(=O)c1ccc(Br)cc1
InChI: InChI=1S/C13H17BrN2O2S/c1-16(2,3)8-9-19-13(15-18)12(17)10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.18 | OCHEM | 1 » 0 |
| 7.18 | Baltruschat ChEMBL | 1 » 0 |