Molecule FYI-1008783

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A

Molecule Summary:

ID: FYI-1008783
Names:
InChIKey: WASIFYWHOBGUAD-UHFFFAOYSA-N
SMILES: CC(F)(F)c1cccnc1N

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008783 Edit

Molecule Structure InChIKey: WASIFYWHOBGUAD-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(F)(F)c1cccnc1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1008783
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.9373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    1.5876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008783-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
    2.0930   -1.2940   -0.6832 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0905    0.8723   -0.6793 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0273    0.9867    0.0123 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0174    2.1889   -0.0055 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5613   -0.2127   -0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0705   -0.2147   -0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759    0.9526   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1471   -0.2144    1.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6141   -1.4250   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0045   -1.4308    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6581   -0.2090    0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2409   -0.2057    1.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8492   -1.1117    1.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8358    0.6673    1.9521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0786   -2.3704   -0.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5591   -2.3621    0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7419   -0.1592    0.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9295    2.2412    0.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5526    3.0261   -0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  2  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
$$$$

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2024-04-29, 787👍, 0💬