Molecule Editor

Molecule ID: FYI-1006778 Edit

Molecule Names: ANILINE;

Molecule Structure InChIKey: PAYRUJLWNCNPSJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006778
FYIcenter.com

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

Download SDF Structure in 3D SDF:

FYI-1006778-3D
FYIcenter.com

 14 14  0     0  0  0  0  0  0999 V2000
   -2.4046    0.0000    0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9941   -0.0002   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2969    1.2079   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2965   -1.2080   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0980    1.2080    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0984   -1.2078    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7957    0.0002    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8289    2.1558   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8283   -2.1561   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6411    2.1486    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -2.1482    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8818    0.0004    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9109   -0.8755   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9107    0.8756   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$