The Biofilms Structural Database
Name
~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
Molecular Weight
294.25
Isomeric SMILES
c1cc(ccc1C#CCNc2ccnc(c2)C(F)(F)F)F
Formula
C15H10F4N2
Identifiers
Formal Charge
0
InChI
InChI=1S/C15H10F4N2/c16-12-5-3-11(4-6-12)2-1-8-20-13-7-9-21-14(10-13)15(17,18)19/h3-7,9-10H,8H2,(H,20,21)
Atom Count
31
InChIKey
LOCKKGFITVJYKW-UHFFFAOYSA-N
PDB codes
7NBW
Type
NON-POLYMER
Chiral Atom Count
Chiral Atoms
n/a
Bond Count
32
Aromatic Bond Count
12
Leaving Atoms