Molecule FYI-1002299

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A

Molecule Summary:

ID: FYI-1002299
Names:
InChIKey: WFWLQNSHRPWKFK-UHFFFAOYSA-N
SMILES: O=c2[nH]c(=O)n(C1CCCO1)cc2F

Received at FYIcenter.com on: 2023-02-22

Molecule ID: FYI-1002299 Edit

Molecule Structure InChIKey: WFWLQNSHRPWKFK-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2[nH]c(=O)n(C1CCCO1)cc2F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002299
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    6.3655    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960    4.1923    0.0000 C   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
    6.1287    2.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    3.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   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
    4.8497    0.0000    0.0000 O   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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  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  9  1  0  0  0  0
 12 11  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 14  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002299-3D
FYIcenter.com

 23 24  0     1  0  0  0  0  0999 V2000
    2.1760   -2.3572    0.1560 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345   -0.6788   -1.0254 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1642    2.6476   -0.2313 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7922   -0.1715    0.2052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2101    0.3426   -0.1653 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9693    1.2441   -0.0131 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    0.4504   -0.2941 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3490    0.4618    1.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6722   -0.1703    0.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2561   -1.2194   -0.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5944    1.4954   -0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3326   -0.9223   -0.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6426   -1.1260    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5838    0.0037    0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8906    1.3491   -0.8675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4437    1.4673    1.4644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8300   -0.1591    1.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2013   -0.5889    1.5545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3224    0.5718    0.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9290   -2.1394    0.1833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0552   -1.4673   -1.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3337   -1.7766   -0.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5782    2.0575    0.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  2  0  0  0  0
  4 14  2  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
$$$$

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2023-03-17, 1529👍, 0💬