Molecule FYI-1006726

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A

Molecule Summary:

ID: FYI-1006726
Names:
InChIKey: JECYSDNNXSKYNP-UHFFFAOYSA-N
SMILES: NNC(=O)c2ccc(c1ccccc1F)cc2

Received at FYIcenter.com on: 2024-01-12

Molecule ID: FYI-1006726 Edit

Molecule Structure InChIKey: JECYSDNNXSKYNP-UHFFFAOYSA-N

Molecule Structure SMILES String: NNC(=O)c2ccc(c1ccccc1F)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006726
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    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
    4.8498    4.9000    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    2.8000    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
    1.2124    2.8000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 F   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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  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
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 17  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006726-3D
FYIcenter.com

 28 29  0     0  0  0  0  0  0999 V2000
   -2.2117    1.9741   -0.8851 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2037    1.0513    0.8842 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3547   -0.7264   -0.5989 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7361   -0.7023   -0.6052 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5889   -0.0982    0.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0323   -0.1962    0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1607   -0.5330   -0.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0528    0.4317    1.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1939    0.0920    0.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5520   -0.4380   -0.9685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4442    0.5269    1.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7981    0.8588   -0.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6582   -1.3498    0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1893    0.7598   -0.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0494   -1.4485    0.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6444    0.1916    0.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8148   -0.3938    0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3246   -0.9425   -1.8779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5167    0.7745    2.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0958   -0.7611   -1.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    0.9388    2.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0768   -2.1817    0.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7852    1.5809   -0.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5367   -2.3467    0.8870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8980   -0.4708    0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9081   -1.4663   -1.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0490   -1.6205   -0.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0253   -0.6230   -1.5792 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 16  2  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  3 26  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8 11  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 17  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  2  0  0  0  0
 15 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  END
$$$$

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