Molecule FYI-1008768

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A

Molecule Summary:

ID: FYI-1008768
Names:
InChIKey: BOIZRKNKILSBTB-UHFFFAOYSA-N
SMILES: N#CCc1ncc[nH]1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008768 Edit

Molecule Structure InChIKey: BOIZRKNKILSBTB-UHFFFAOYSA-N

Molecule Structure SMILES String: N#CCc1ncc[nH]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008768
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    3.4282    5.1834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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  3  0  0  0  0
  3  2  1  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
  8  7  1  0  0  0  0
  8  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008768-3D
FYIcenter.com

 13 13  0     0  0  0  0  0  0999 V2000
    0.9139   -1.0782   -0.2015 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9184    1.1361   -0.0310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9846   -0.0892    0.8398 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2297    0.0855   -0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1172    0.0838   -1.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1156   -0.7485    0.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0953    0.6232    0.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1711   -0.0127    0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2217   -0.7459   -1.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2599    1.0058   -1.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5922   -2.0130   -0.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8485   -1.4947    0.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8682    1.2673    0.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  3  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1008👍, 0💬