Molecule FYI-1008293

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A

Molecule Summary:

ID: FYI-1008293
Names:
InChIKey: QUXLCYFNVNNRBE-UHFFFAOYSA-N
SMILES: Cc1cccc(N)n1

Received at FYIcenter.com on: 2024-04-27

Molecule ID: FYI-1008293 Edit

Molecule Structure InChIKey: QUXLCYFNVNNRBE-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cccc(N)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008293
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 C   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 C   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    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
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  8  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008293-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
   -0.0263    1.0450   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3559    1.0999    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1534    0.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1661   -1.0870   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1430    0.3667   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0568   -1.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2380   -1.0156    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4478    1.0415    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0943   -1.6483   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0889   -2.8343   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1959   -1.5255   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2802    2.1236    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0309    0.7905   -0.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0309    0.7903    0.8918 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1746    0.6765    0.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2818    2.1097    0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  2  5  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  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
M  END
$$$$

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2024-07-11, 1351👍, 0💬