Molecule Editor

Molecule ID: FYI-1016198 Edit

Molecule Structure InChIKey: MIYSEUWDQIMHAU-UHFFFAOYSA-N

Molecule Structure SMILES String: N#Cc1nc(C(F)(F)F)oc1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1016198
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    4.5766    4.9413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3642    4.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0853    4.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1484    3.7704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8484    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2179    2.8490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    0.7095    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7097    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8484    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7941    6.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5030    7.5495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016198-3D
FYIcenter.com

 14 14  0     0  0  0  0  0  0999 V2000
   -2.5138    1.5605    0.0020 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7621   -0.3055   -1.0857 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7347   -0.3136    1.0943 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2491   -1.2375   -0.0026 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2657    0.9647   -0.0012 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8461   -2.2472   -0.0014 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7506    1.3462    0.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6808    0.0534   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1389    0.2455   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1079   -1.1197   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4159    0.2180   -0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931    0.8353   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4166   -3.1666   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8609   -2.2306   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  9  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 12  3  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
$$$$