Molecule ID: mol20724
SMILES: CC[N+](C)(CC)CCS/C(=N\O)C(=O)c1ccc(OC)cc1
InChI: InChI=1S/C16H24N2O3S/c1-5-18(3,6-2)11-12-22-16(17-20)15(19)13-7-9-14(21-4)10-8-13/h7-10H,5-6,11-12H2,1-4H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.70 | OCHEM | 1 » 0 |
| 7.70 | Baltruschat ChEMBL | 1 » 0 |
| 7.82 | OCHEM | 1 » 0 |