The Biofilms Structural Database
Name
4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
Molecular Weight
340.34
Isomeric SMILES
CC(C)Cc1cn(nn1)c2ccc(cc2)C(=O)NCCC(F)(F)F
Formula
C16H19F3N4O
Identifiers
Formal Charge
0
InChI
InChI=1S/C16H19F3N4O/c1-11(2)9-13-10-23(22-21-13)14-5-3-12(4-6-14)15(24)20-8-7-16(17,18)19/h3-6,10-11H,7-9H2,1-2H3,(H,20,24)
Atom Count
43
InChIKey
LBCXJROJUODEIN-UHFFFAOYSA-N
PDB codes
6HO9
Type
NON-POLYMER
Chiral Atom Count
Chiral Atoms
n/a
Bond Count
44
Aromatic Bond Count
11
Leaving Atoms