Molecule FYI-1014361

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A

Molecule Summary:

ID: FYI-1014361
Names:
InChIKey: YJVBOTVQQXCUAH-XYOKQWHBSA-N
SMILES: O=C(O)/C(Cc1ccc(F)c(F)c1)=N/O

Received at FYIcenter.com on: 2025-04-07

Molecule ID: FYI-1014361 Edit

Molecule Structure InChIKey: YJVBOTVQQXCUAH-XYOKQWHBSA-N

Molecule Structure SMILES String: O=C(O)/C(Cc1ccc(F)c(F)c1)=N/O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014361
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 15  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014361-3D
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.3250   -0.3006    2.2056 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5363   -0.2045    1.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.7428    0.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9899   -1.1905   -0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1885   -2.3562    0.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7005   -2.0909    0.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0868   -1.5337    1.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2873   -1.2700    1.6779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0503   -1.5584    0.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3635   -1.2912    0.5581 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4561   -2.1175   -0.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1912   -2.4032   -1.6547 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0901   -2.3860   -0.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750   -0.9215   -1.2666 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7467   -1.8840   -2.1312 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2874    0.5892   -0.5497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5351   -2.6116    1.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3954   -3.2471   -0.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6723   -1.3042    2.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7658   -0.8406    2.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448   -2.8262   -1.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9835   -1.5436   -3.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  2  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
$$$$

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2025-04-26, 678👍, 0💬