Molecule Editor

Molecule ID: FYI-1015747 Edit

Molecule Structure InChIKey: WVGCPEDBFHEHEZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Brc1cn[nH]c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015747
FYIcenter.com

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.7282    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588    2.0923    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
    2.4914    0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    1.1710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015747-3D
FYIcenter.com

  9  9  0     0  0  0  0  0  0999 V2000
   -2.5436   -0.0716    0.0003 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4057    0.6596    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4879   -0.6818    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1265    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6844    0.0247   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2080   -1.0641   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0832    2.1936    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2660    1.1931    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0157   -2.1218    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
$$$$