Molecule ID: mol20718
SMILES: CCN(CC)CCS/C(=N\O)C(=O)c1ccc(OC)cc1
InChI: InChI=1S/C15H22N2O3S/c1-4-17(5-2)10-11-21-15(16-19)14(18)12-6-8-13(20-3)9-7-12/h6-9,19H,4-5,10-11H2,1-3H3/b16-15-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.65 | OCHEM | 1 » 0 |
| 7.65 | Baltruschat ChEMBL | 1 » 0 |
| 7.82 | OCHEM | 1 » 0 |