Molecule Editor

Molecule ID: FYI-1015756 Edit

Molecule Structure InChIKey: LETVJWLLIMJADE-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1cccnn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015756
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015756-3D
FYIcenter.com

 12 12  0     0  0  0  0  0  0999 V2000
   -0.2924   -1.1894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3591    0.0004    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0676   -1.1957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448   -0.0075   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931    1.2093   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0907    1.2029    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310   -0.0201    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342    2.1500   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6540    2.1290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8124   -0.0921    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8377    0.7916    0.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8254   -0.8983    0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
$$$$