Molecule FYI-1009771

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A

Molecule Summary:

ID: FYI-1009771
Names:
InChIKey: KQYCWHISADXSCC-UHFFFAOYSA-N
SMILES: CC(=O)NCCC2(C)CNC1=CCC(F)C=C12

Received at FYIcenter.com on: 2024-05-17

Molecule ID: FYI-1009771 Edit

Molecule Structure InChIKey: KQYCWHISADXSCC-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)NCCC2(C)CNC1=CCC(F)C=C12

Download SDF Download SVG Structure in 2D SDF:

FYI-1009771
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.5104    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    3.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    5.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    1.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    0.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3900    4.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    5.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    4.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    5.5047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    5.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    3.4047    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009771-3D
FYIcenter.com

 36 37  0  0  1  0  0  0  0  0999 V2000
    0.8023    3.9733    0.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2871    4.1841    0.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7839    5.0298    1.3590 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0235    3.3541   -0.1904 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4635    3.4630   -0.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1178    2.4736   -1.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6668    2.5674   -1.2397 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1348    3.9660   -1.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3246    2.1843    0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9410    0.8974   -0.1202 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9738    0.5420   -1.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5793   -0.5007   -2.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4959   -0.7554   -3.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6785    0.2690   -4.3042 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6842   -0.4045   -4.9555 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0653    1.3951   -3.5227 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2154    1.5029   -2.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2922    4.6490    1.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5515    2.9433    0.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4656    4.1925   -0.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5567    2.6388   -0.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8209    3.3144    0.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6978    4.4956   -0.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7017    2.6409   -2.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8184    1.4529   -0.9041 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8413    4.7346   -0.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7175    4.2425   -2.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2276    4.0106   -1.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6034    2.0837    0.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0862    2.9102    0.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5265    0.4341    0.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1440   -1.2044   -1.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0821   -1.7584   -3.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5209   -0.7765   -3.8751 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3211    0.6947   -5.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4767    2.1155   -4.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 35  1  0  0  0  0
 16 17  2  0  0  0  0
 16 36  1  0  0  0  0
M  END
$$$$

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2024-05-29, 170👍, 0💬