The Biofilms Structural Database
Name
~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Molecular Weight
285.24
Isomeric SMILES
Nc1cc(NCc2ccc(F)cc2)cc(n1)C(F)(F)F
Formula
C13H11F4N3
Identifiers
Formal Charge
0
InChI
InChI=1S/C13H11F4N3/c14-9-3-1-8(2-4-9)7-19-10-5-11(13(15,16)17)20-12(18)6-10/h1-6H,7H2,(H3,18,19,20)
Atom Count
31
InChIKey
NVURBNAAKDVJHE-UHFFFAOYSA-N
PDB codes
6Q7V
Type
NON-POLYMER
Chiral Atom Count
Chiral Atoms
n/a
Bond Count
32
Aromatic Bond Count
12
Leaving Atoms