The Biofilms Structural Database
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
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
Chiral Atoms
n/a
Bond Count
45
Aromatic Bond Count
11
Leaving Atoms