Molecule FYI-1003944

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A

Molecule Summary:

ID: FYI-1003944
Names:
InChIKey: FZEPXXHITBIOIY-UHFFFAOYSA-N
SMILES: Fc3ccc(c2ccc1[nH]ccc1c2)cc3

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

Molecule ID: FYI-1003944 Edit

Molecule Structure InChIKey: FZEPXXHITBIOIY-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc3ccc(c2ccc1[nH]ccc1c2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003944
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 F   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-1003944-3D
FYIcenter.com

 26 28  0     0  0  0  0  0  0999 V2000
    5.3962    0.3724    0.0555 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2576   -0.4911   -0.0792 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3671    0.6758    0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8854   -0.6010   -0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1422   -0.2666   -0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9685    0.8452    0.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2955   -0.1007   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0716   -1.7215   -0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -1.5293   -0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4753    1.5541    0.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6235    0.8074    0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1102   -1.1496    0.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8650    1.1080   -0.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4956   -0.9897    0.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2506    1.2677   -0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0658    0.2190    0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5790    1.8370    0.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958   -2.7033   -0.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0693   -2.4033   -0.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4381    2.6180    0.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9009   -1.2587   -0.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6670    1.0845    0.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7113   -2.0973    0.7556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2739    1.9414   -0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1308   -1.8032    0.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6959    2.2060   -0.7122 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
$$$$

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2023-08-09, 3494👍, 0💬