Molecule ID: mol20737
SMILES: CC[N+](C)(CC)CCS/C(=N\O)C(=O)c1ccc(F)cc1
InChI: InChI=1S/C15H21FN2O2S/c1-4-18(3,5-2)10-11-21-15(17-20)14(19)12-6-8-13(16)9-7-12/h6-9H,4-5,10-11H2,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.31 | OCHEM | 1 » 0 |
| 7.31 | Baltruschat ChEMBL | 1 » 0 |