Molecule ID: mol20734
SMILES: CCN(CC)CCS/C(=N\O)C(=O)c1ccc(Br)cc1
InChI: InChI=1S/C14H19BrN2O2S/c1-3-17(4-2)9-10-20-14(16-19)13(18)11-5-7-12(15)8-6-11/h5-8,19H,3-4,9-10H2,1-2H3/b16-14-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | OCHEM | 1 » 0 |
| 7.20 | Baltruschat ChEMBL | 1 » 0 |
| 9.28 | OCHEM | 0 » -1 |