The Biofilms Structural Database
Name
3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole
Molecular Weight
239.25
Isomeric SMILES
Fc1ccc(cc1)-c1nnc([nH]1)-c1ccccc1
Formula
C14H10FN3
Identifiers
Formal Charge
0
InChI
InChI=1S/C14H10FN3/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
Atom Count
28
InChIKey
KMGPJKOKSYGMJD-UHFFFAOYSA-N
PDB codes
3G1L
Type
NON-POLYMER
Chiral Atom Count
Chiral Atoms
n/a
Bond Count
30
Aromatic Bond Count
19
Leaving Atoms