Molecule FYI-1012404

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A

Molecule Summary:

ID: FYI-1012404
Names:
InChIKey: RPGVDXOVVBWOIH-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ncnc2nc[nH]c12

Received at FYIcenter.com on: 2024-09-03

Molecule ID: FYI-1012404 Edit

Molecule Structure InChIKey: RPGVDXOVVBWOIH-UHFFFAOYSA-N

Molecule Structure SMILES String: FC(F)(F)c1ncnc2nc[nH]c12

Download SDF Download SVG Structure in 2D SDF:

FYI-1012404
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    5.3207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    1.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.6158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.6158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.3034    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8158    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.7282    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    0.1464    0.0000 N   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
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  2  0  0  0  0
 12  3  1  0  0  0  0
 13 12  1  0  0  0  0
 13  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012404-3D
FYIcenter.com

 16 17  0     0  0  0  0  0  0999 V2000
   -1.9918    1.5795    0.0005 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6956   -0.1718   -1.0904 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6979   -0.1722    1.0894 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4694   -1.7018   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7243    1.7654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9186   -1.6112    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7404    0.6477    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6221   -0.3259   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4890    0.4211   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7975   -0.2459   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0094    0.2299    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7894   -2.2570    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0272    1.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3082   -2.2714    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7717   -3.3581    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5607    2.8047    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 11  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
$$$$

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2024-09-28, 1202👍, 0💬