Molecule FYI-1008792

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A

Molecule Summary:

ID: FYI-1008792
Names:
InChIKey: USWDEKDRZVWZQY-UHFFFAOYSA-N
SMILES: Nc2cc(Cc1ccccc1)ccn2

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

Molecule ID: FYI-1008792 Edit

Molecule Structure InChIKey: USWDEKDRZVWZQY-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2cc(Cc1ccccc1)ccn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008792
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    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  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
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008792-3D
FYIcenter.com

 26 27  0     0  0  0  0  0  0999 V2000
    3.3421    0.4039    0.7756 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5842   -1.9310    0.3701 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3404    0.3846   -1.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9537    0.3903   -0.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5517    0.1138   -0.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6785   -0.7852   -0.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2456    1.1716   -0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9904   -1.1971   -0.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4217    1.5725   -0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8557   -0.7257    0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3783    0.9185    0.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1230   -1.4503    0.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6104    1.5265    0.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8169   -0.3925    0.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2676   -0.3529   -2.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4503    1.3445   -1.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3305   -1.7180   -0.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9152    2.1979   -0.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4595   -2.0308   -0.9039 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8827    2.5075   -0.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9187    1.7420    1.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4647   -2.4710    0.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0185    2.4214    1.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6989   -0.5896    1.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759   -2.8065    0.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4407   -1.8835    0.9079 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 17  1  0  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  8 12  2  0  0  0  0
  8 19  1  0  0  0  0
  9 13  2  0  0  0  0
  9 20  1  0  0  0  0
 11 14  2  0  0  0  0
 11 21  1  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1919👍, 0💬