Molecule FYI-1000425

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A

Molecule Summary:

ID: FYI-1000425
SMILES: O=C1CCNCC1

Received at FYIcenter.com on: 2021-06-23

Molecule ID: FYI-1000425 Edit

Molecule Structure SMILES String: O=C1CCNCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000425
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 O   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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000425-3D
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
   -2.2404    0.0254   -0.0115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0112   -0.0135   -0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2111    1.1900   -0.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828    1.2197    0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8952    0.0044    0.1669 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683   -1.1653   -0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2464   -1.2750    0.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7937    2.0960   -0.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0214    1.1236   -1.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8428    1.3803    1.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6909    2.0730   -0.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3281   -0.1975    1.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7348   -2.0693   -0.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1404   -1.1175   -1.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2388   -1.4186    1.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7592   -2.1211   -0.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
M  END
$$$$

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2022-11-04, 2632👍, 0💬