Molecule ID: mol20736
SMILES: CCN(CC)CCS/C(=N\O)C(=O)c1ccc(C#N)cc1
InChI: InChI=1S/C15H19N3O2S/c1-3-18(4-2)9-10-21-15(17-20)14(19)13-7-5-12(11-16)6-8-13/h5-8,20H,3-4,9-10H2,1-2H3/b17-15-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.02 | OCHEM | 1 » 0 |
| 7.02 | Baltruschat ChEMBL | 1 » 0 |