Molecule Editor

Molecule ID: FYI-1015755 Edit

Molecule Structure InChIKey: NYPYPOZNGOXYSU-UHFFFAOYSA-N

Molecule Structure SMILES String: Brc1cccnc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015755
FYIcenter.com

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

Download SDF Structure in 3D SDF:

FYI-1015755-3D
FYIcenter.com

 11 11  0     0  0  0  0  0  0999 V2000
   -2.8040   -0.0388   -0.0009 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.1713   -1.2065   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2318    1.2110    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9215    0.0037    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1588    1.2109   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1799   -1.1667    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8072   -0.0135   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7628    2.1592    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7174    2.1398   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6574   -2.1420    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8908   -0.0680   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
$$$$