Molecule FYI-1008665

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A

Molecule Summary:

ID: FYI-1008665
Names:
InChIKey: MJZYEINWKVOZEE-UHFFFAOYSA-N
SMILES: Nc1nccc(F)c1I

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

Molecule ID: FYI-1008665 Edit

Molecule Structure InChIKey: MJZYEINWKVOZEE-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1nccc(F)c1I

Download SDF Download SVG Structure in 2D SDF:

FYI-1008665
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    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
    3.6373    1.4000    0.0000 I   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
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008665-3D
FYIcenter.com

 13 13  0     0  0  0  0  0  0999 V2000
    1.5876    2.3024    0.0014 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.3452   -0.7791   -0.0006 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7797   -0.4734    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6513    1.8787   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9919    0.6253   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3932    0.5866   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0094   -0.6599   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2327   -1.8132    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1452   -1.6672    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6913   -2.7953    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7956   -2.5356    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1735    2.6717    0.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6636    1.8680    0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
$$$$

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2024-06-03, 186👍, 0💬