Molecule FYI-1010712

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Molecule Summary:

ID: FYI-1010712
Names:
InChIKey: MAXCWSIJKVASQC-UHFFFAOYSA-N
SMILES: CN(N=O)c1ccccc1

Received at FYIcenter.com on: 2024-07-04

Molecule ID: FYI-1010712 Edit

Molecule Structure InChIKey: MAXCWSIJKVASQC-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(N=O)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1010712
FYIcenter.com

 10 10  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
    1.2126    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2001    0.0000 O   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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010712-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
    3.3735   -0.5826   -0.2173 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3363    0.2216    0.0641 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1629   -0.8182   -0.2862 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0665    0.0796    0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8727    1.1866   -0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6476   -1.1677    0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2600    1.0463   -0.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0349   -1.3081    0.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8411   -0.2011   -0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8499    1.5435    0.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4600    2.1705   -0.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0489   -2.0473    0.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8880    1.9071   -0.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4879   -2.2787    0.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8733    1.4732    0.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2486    1.9606    1.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8608    2.2422   -0.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9212   -0.3105   -0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 18  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
$$$$

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2024-07-25, 2020👍, 0💬