Molecule FYI-1002919

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A

Molecule Summary:

ID: FYI-1002919
Names:
InChIKey: PPWGXGNDKCCQOL-UHFFFAOYSA-N
SMILES: Nc2c(C(F)(F)F)c(=O)c1ccccc1c2=O

Received at FYIcenter.com on: 2023-04-26

Molecule ID: FYI-1002919 Edit

Molecule Structure InChIKey: PPWGXGNDKCCQOL-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2c(C(F)(F)F)c(=O)c1ccccc1c2=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002919
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    2.9876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    5.4124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 N   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
  8 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002919-3D
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.9276   -0.0734   -0.0544 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2989   -0.1610   -0.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0258   -1.2945   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3977   -2.6449   -0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2348   -3.7094   -0.0054 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5612   -2.7978    1.0243 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6196   -2.8219   -1.1471 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5034   -1.2561   -0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1892   -2.2698   -0.0424 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1838    0.0504   -0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5855    0.1028   -0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2416    1.3342   -0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5029    2.5165   -0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1085    2.4659   -0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4509    1.2282   -0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9842    1.1826   -0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3232    2.2168   -0.0359 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3105   -0.8759   -0.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5284    0.8677   -0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1731   -0.8145   -0.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3289    1.3710   -0.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0116    3.4770   -0.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5371    3.3934   -0.0387 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
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
$$$$

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2023-05-09, 2139👍, 0💬