Molecule ID: mol16118
SMILES: CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CN(C(=O)/C=C/CN3CCCCC3)C[C@H]21
InChI: InChI=1S/C19H31N3O4S/c1-14(2)18-15-12-21(13-16(15)22(19(18)24)27(3,25)26)17(23)8-7-11-20-9-5-4-6-10-20/h7-8,14-16,18H,4-6,9-13H2,1-3H3/b8-7+/t15-,16-,18+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.44 | Baltruschat ChEMBL | 1 » 0 |