Molecule FYI-1003943

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A

Molecule Summary:

ID: FYI-1003943
Names:
InChIKey: WRCFPBZUXYWGPK-UHFFFAOYSA-N
SMILES: Clc3ccc(c2ccc1[nH]ccc1c2)cc3

Received at FYIcenter.com on: 2023-08-07

Molecule ID: FYI-1003943 Edit

Molecule Structure InChIKey: WRCFPBZUXYWGPK-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc3ccc(c2ccc1[nH]ccc1c2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003943
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    1.0405    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0405    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    9.9158    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
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003943-3D
FYIcenter.com

 26 28  0     0  0  0  0  0  0999 V2000
   -5.7525   -0.3978   -0.0588 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2826    0.4817    0.0781 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3889   -0.6800   -0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9107    0.5955    0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.2690    0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9898   -0.8453   -0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2714    0.1071    0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1002    1.7184    0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7155    1.5302    0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4946   -1.5615   -0.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6449   -0.8180   -0.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    1.1582   -0.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8442   -1.0999    0.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4693    1.0025   -0.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2303   -1.2558    0.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0428   -0.2045   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5973   -1.8360   -0.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5272    2.6991    0.4835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0998    2.4060    0.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4543   -2.6255   -0.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9281    1.2475    0.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875   -1.0980   -0.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6818    2.1046   -0.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2550   -1.9349    0.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0903    1.8275   -0.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6641   -2.1993    0.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6 17  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 12 23  1  0  0  0  0
 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
 14 16  2  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 3236👍, 0💬