Molecule FYI-1008923

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Molecule Summary:

ID: FYI-1008923
Names:
InChIKey: UXEZULVIMJVIFB-UHFFFAOYSA-N
SMILES: O=c1nc[nH]c2cccc(F)c12

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008923 Edit

Molecule Structure InChIKey: UXEZULVIMJVIFB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c1nc[nH]c2cccc(F)c12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008923
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.8000    0.0000 F   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   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
    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  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008923-3D
FYIcenter.com

 17 18  0     0  0  0  0  0  0999 V2000
    1.1904   -2.3213   -0.0004 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3581   -2.1469    0.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1607    1.8629   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4639   -0.1422   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0476    1.1622    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0140   -0.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2807    1.8184    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1993   -0.9814   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3173   -0.9210    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4656    1.0805    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246   -0.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3224    1.1450   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3285    2.9043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1473    2.8752    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3502   -0.8830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4230    1.5938    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2147    1.7908   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
$$$$

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2024-06-03, 166👍, 0💬