Molecule FYI-1001096

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A

Molecule Summary:

ID: FYI-1001096
SMILES: C1=CC=CN=C1

Received at FYIcenter.com on: 2021-12-24

Molecule ID: FYI-1001096 Edit

Molecule Structure SMILES String: C1=CC=CN=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001096
FYIcenter.com

  6  6  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001096-3D
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.6880    1.2260    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4330    0.0516    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7738   -1.1733    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6120   -1.1719    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3624   -0.0485    0.0055 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6942    1.1256    0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1715    2.1963    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5185    0.0904   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3254   -2.1063    0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1726   -2.1023    0.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3198    2.0134    0.0001 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
  6 11  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-13, 2687👍, 0💬