Molecule FYI-1013182

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A

Molecule Summary:

ID: FYI-1013182
Names:
InChIKey: JHEFOJNPLXSWNZ-UHFFFAOYSA-N
SMILES: CC(=O)Nc1ccc(F)cc1

Received at FYIcenter.com on: 2024-11-19

Molecule ID: FYI-1013182 Edit

Molecule Structure InChIKey: JHEFOJNPLXSWNZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)Nc1ccc(F)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1013182
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  1  8  2  0  0  0  0
  9  7  1  0  0  0  0
  8 11  1  0  0  0  0
 11  9  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013182-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
    3.8318    0.4496   -0.0004 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5987    1.4031   -0.0022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5682   -0.7174    0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2045   -0.4227    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2219    0.9053    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7323   -1.4562   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5853    1.1999    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0958   -1.1617   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5223    0.1665   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6467    0.1773    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9713   -0.5437   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4424    1.7581    0.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4143   -2.4957   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7982   -1.7091    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191    2.2335    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8256   -1.9659   -0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0631   -1.1468   -0.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7886    0.1822    0.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0419   -1.1916    0.8782 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  6 13  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

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