Molecule FYI-1009301

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A

Molecule Summary:

ID: FYI-1009301
Names:
InChIKey: DWQWLHSWXIOJFX-UHFFFAOYSA-N
SMILES: O=C2C=CN(Cc1ccccc1Cl)C2

Received at FYIcenter.com on: 2024-05-08

Molecule ID: FYI-1009301 Edit

Molecule Structure InChIKey: DWQWLHSWXIOJFX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2C=CN(Cc1ccccc1Cl)C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009301
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    6.2252    2.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2252    0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4376    0.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6501    0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6501    2.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4376    3.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0128    3.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429    2.7693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6041    3.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3904    3.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6791    1.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0712    1.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2043    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  8 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009301-3D
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.2649   -1.2544    1.2846 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4010   -0.6373    0.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3419   -0.5653   -0.8032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7398    0.1792   -1.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034    0.6340    0.0675 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6548    1.3617    0.1255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4472    2.8589    0.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3488    3.5419   -1.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2440    4.9348   -1.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2319    5.6704    0.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2912    5.0105    1.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3853    3.6145    1.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4402    2.8854    2.8786 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7565    0.1458    1.2893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0327   -1.0385   -1.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1193    0.4375   -2.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2489    1.0457    0.9915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2771    1.0953   -0.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3682    2.9863   -2.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1812    5.4457   -2.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1725    6.7559    0.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2717    5.5913    2.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4089   -0.5265    1.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3673    0.9643    1.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
$$$$

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2024-05-15, 173👍, 0💬