The Biofilms Structural Database
|
|
The Biofilms Structural Database |
BDM44825 |
|
|---|---|
6HO9 |
|
Code
GHB | |
|
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 |
4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
|
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 |
0 |
|
Chiral Atoms |
n/a |
|
Bond Count |
44 |
|
Aromatic Bond Count |
11 |
|
Leaving Atoms |
n/a |