Molecule Editor

Molecule ID: FYI-1015279 Edit

Molecule Structure InChIKey: LXBGSDVWAMZHDD-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ncc[nH]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015279
FYIcenter.com

  6  6  0  0  0  0  0  0  0  0999 V2000
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    0.0000 N   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
  6  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015279-3D
FYIcenter.com

 12 12  0     0  0  0  0  0  0999 V2000
    0.0887    1.0945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0351   -1.1257   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6900   -0.0293    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1622    0.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935    0.6887   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3349   -0.6851    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2387    2.0516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5198    0.5872    0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5198    0.5862   -0.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6081   -0.9427    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2144    1.3909   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1626   -1.3792    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  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
  6 12  1  0  0  0  0
M  END
$$$$