The Biofilms Structural Database
Name
~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine
Molecular Weight
313.29
Isomeric SMILES
Nc1cc(NCCCc2ccc(F)cc2)cc(n1)C(F)(F)F
Formula
C15H15F4N3
Identifiers
Formal Charge
0
InChI
InChI=1S/C15H15F4N3/c16-11-5-3-10(4-6-11)2-1-7-21-12-8-13(15(17,18)19)22-14(20)9-12/h3-6,8-9H,1-2,7H2,(H3,20,21,22)
Atom Count
37
InChIKey
AUZFKJZRALGBMB-UHFFFAOYSA-N
PDB codes
6Q7W
Type
NON-POLYMER
Chiral Atom Count
Chiral Atoms
n/a
Bond Count
38
Aromatic Bond Count
12
Leaving Atoms