Molecule FYI-1006948

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Molecule Summary:

ID: FYI-1006948
Names:
InChIKey: SMWDFEZZVXVKRB-UHFFFAOYSA-N
SMILES: c2ccc1ncccc1c2

Received at FYIcenter.com on: 2024-01-23

Molecule ID: FYI-1006948 Edit

Molecule Structure InChIKey: SMWDFEZZVXVKRB-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc1ncccc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006948
FYIcenter.com

 10 11  0  0  0  0  0  0  0  0999 V2000
    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
    1.2124    0.0000    0.0000 C   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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    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
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006948-3D
FYIcenter.com

 17 18  0     0  0  0  0  0  0999 V2000
    1.1893    1.3914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0056   -0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0323    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2205   -1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2293   -1.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1835    1.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4216   -0.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4027    0.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4231   -0.6838   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3486    0.6942    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2465   -2.4818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2587   -2.4779   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1959    2.4691   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3670   -1.2247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3351    1.2553   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3782   -1.1958   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2490    1.2997    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 10  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  5  9  2  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
$$$$

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2024-01-31, 227👍, 0💬