Molecule FYI-1003360

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A

Molecule Summary:

ID: FYI-1003360
Names:
InChIKey: PNQUBKQGJUHNBE-UHFFFAOYSA-N
SMILES: FC1C=CC=CC1

Received at FYIcenter.com on: 2023-06-06

Molecule ID: FYI-1003360 Edit

Molecule Structure InChIKey: PNQUBKQGJUHNBE-UHFFFAOYSA-N

Molecule Structure SMILES String: FC1C=CC=CC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003360
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003360-3D
FYIcenter.com

 14 14  0     1  0  0  0  0  0999 V2000
   -1.9503    0.0045    0.7018 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1353   -0.0342   -0.3937 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3493    1.2886   -0.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827   -1.2681   -0.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0434    1.2009    0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0151   -1.2205    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6591    0.0288    0.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7915   -0.0915   -1.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059    2.0582    0.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2639    1.6245   -1.4820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7492   -2.2249   -0.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5635    2.1277    0.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6075   -2.1271    0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690   -0.0055    0.7209 H   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
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  2  0  0  0  0
  4 11  1  0  0  0  0
  5  7  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
M  END
$$$$

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2023-07-01, 1744👍, 0💬