Molecule FYI-1007115

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Molecule Summary:

ID: FYI-1007115
Names:
InChIKey: BNGBHRDDCACZRD-SOFGYWHQSA-N
SMILES: NCCCCc1cc1=CO

Received at FYIcenter.com on: 2024-01-31

Molecule ID: FYI-1007115 Edit

Molecule Structure InChIKey: BNGBHRDDCACZRD-SOFGYWHQSA-N

Molecule Structure SMILES String: NCCCCc1cc1=CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1007115
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    7.9746    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    3.3124    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 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  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  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007115-3D
FYIcenter.com

 23 23  0  0  0  0  0  0  0  0999 V2000
    1.0308    0.1092   -0.0751 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4908    0.0959   -0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9765   -1.2302    0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5074   -1.3463    0.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8886   -2.7167    1.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2770   -3.1358    1.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -2.2373    0.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6316   -3.4036    1.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5610   -4.2488    1.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9055   -4.0139    1.7739 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6969    1.0086   -0.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6734    0.0142    0.8751 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8567    0.9350    0.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8599    0.2244   -1.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5767   -2.0557   -0.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5752   -1.3533    1.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162   -0.5350    1.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9198   -1.2400   -0.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4149   -3.4870    0.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4002   -2.7949    2.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3922   -1.2830    0.5602 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3543   -5.2249    2.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0261   -3.1280    1.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  3  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
M  END
$$$$

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2024-02-11, 762👍, 0💬