Molecule FYI-1004378

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Molecule Summary:

ID: FYI-1004378
Names:
InChIKey: MWPFNCLFYOGXIG-UHFFFAOYSA-N
SMILES: N#CC1CCC1c2ccccc2

Received at FYIcenter.com on: 2023-09-04

Molecule ID: FYI-1004378 Edit

Molecule Structure InChIKey: MWPFNCLFYOGXIG-UHFFFAOYSA-N

Molecule Structure SMILES String: N#CC1CCC1c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004378
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.2672    4.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3084    3.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7084    3.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6772    4.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3329    2.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9755    2.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3819    0.3427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7393    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7148    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2634    5.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2300    6.6751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  2  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  1 11  1  0  0  0  0
 11 12  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004378-3D
FYIcenter.com

 23 24  0     1  0  0  0  0  0999 V2000
    3.2211   -1.9923    0.3151 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7794    0.6196    0.4611 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8926    0.0924   -0.5102 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2148    2.0472    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6010    1.4543   -0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7306    0.1868    0.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6297   -1.0642   -0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0457   -1.1540    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7413    1.1480    0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3716   -1.5337   -0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0671    0.7684    0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3823   -0.5725   -0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0432    0.4551    1.5194 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5314   -0.0276   -1.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1973    2.8174    0.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6995    2.4274   -0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1004    1.8687   -1.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2933    1.4938    0.5471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2699   -1.9138   -0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5155    2.1952    0.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6172   -2.5779   -0.3772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8545    1.5164    0.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4147   -0.8681   -0.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  3  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  2  0  0  0  0
  9 20  1  0  0  0  0
 10 12  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 23  1  0  0  0  0
M  END
$$$$

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2023-09-16, 2753👍, 0💬