Molecule FYI-1001370

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Molecule Summary:

ID: FYI-1001370
SMILES: C1(=CC=CC=N1)[N]

Received at FYIcenter.com on: 2022-06-13

Molecule ID: FYI-1001370 Edit

Molecule Structure SMILES String: C1(=CC=CC=N1)[N]

Download SDF Download SVG Structure in 2D SDF:

FYI-1001370
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.4030   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.3100    0.0000 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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001370-3D
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.3554   -0.1035    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7755    1.1573   -0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6140    1.2494   -0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3716    0.0839    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7047   -1.1302    0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6404   -1.2496    0.0572 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7786   -0.2072    0.0414 N   0  0  0  0  0  1  0  0  0  0  0  0
   -1.3884    2.0520   -0.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0996    2.2207   -0.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4554    0.1194   -0.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2520   -2.0685    0.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  2  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
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
M  END
$$$$

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2022-07-26, 1357👍, 0💬