Molecule FYI-1008437

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A

Molecule Summary:

ID: FYI-1008437
Names:
InChIKey: FJIZSGSZCDMMMY-UHFFFAOYSA-N
SMILES: Cc1c(F)ncnc1F

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

Molecule ID: FYI-1008437 Edit

Molecule Structure InChIKey: FJIZSGSZCDMMMY-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1c(F)ncnc1F

Download SDF Download SVG Structure in 2D SDF:

FYI-1008437
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   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
    1.2125    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   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 F   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  3  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
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008437-3D
FYIcenter.com

 13 13  0     0  0  0  0  0  0999 V2000
   -2.3455   -0.6899    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3452   -0.6904   -0.0006 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2047    1.3041   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2051    1.3038    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -0.7798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003   -2.2635    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1680   -0.0446   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680   -0.0449    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    1.9053    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0008   -2.6410   -1.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793   -2.6602    0.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8798   -2.6599    0.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004    2.9884    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1687👍, 0💬