The Biofilms Structural Database
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BDM41231

6HNZ

Code

GH5

Name

4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one

Molecular Weight

353.34

Isomeric SMILES

c1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F

Formula

C17H18F3N3O2

Identifiers

4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one

Formal Charge

0

InChI

InChI=1S/C17H18F3N3O2/c18-17(19,20)9-6-14(24)23-10-7-13(8-11-23)16-21-15(22-25-16)12-4-2-1-3-5-12/h1-5,13H,6-11H2

Atom Count

43

InChIKey

ROEPMLPFAFHQCH-UHFFFAOYSA-N

PDB codes

6HNZ

Type

NON-POLYMER

Chiral Atom Count

0

Chiral Atoms

n/a

Bond Count

45

Aromatic Bond Count

11

Leaving Atoms

n/a