Molecule FYI-1009779

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A

Molecule Summary:

ID: FYI-1009779
Names:
InChIKey: QOYURMSBMFFINB-UHFFFAOYSA-N
SMILES: CC(=O)NCCc1c[nH]c2=CCC(F)C(C)=c12

Received at FYIcenter.com on: 2024-05-17

Molecule ID: FYI-1009779 Edit

Molecule Structure InChIKey: QOYURMSBMFFINB-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)NCCc1c[nH]c2=CCC(F)C(C)=c12

Download SDF Download SVG Structure in 2D SDF:

FYI-1009779
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.7676    5.5047    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7043    4.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2717    3.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    2.0923    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
    7.3412    0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    1.1710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5780    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0106    3.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0738    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 N   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
    1.2124    2.1000    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
    3.9024    2.8417    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  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
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009779-3D
FYIcenter.com

 34 35  0  0  1  0  0  0  0  0999 V2000
    1.0616   -3.3256    0.8661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5574   -3.2871    0.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1433   -3.3049   -0.3212 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1953   -3.2365    1.9760 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6399   -3.2066    2.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2006   -1.7791    2.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6929   -1.7396    2.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5494   -2.6807    1.6374 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8577   -2.3417    1.8534 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9501   -1.1152    2.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0149   -0.3924    2.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8638    0.9373    3.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4138    1.4095    3.7048 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2666    2.6217    3.0859 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2868    0.4932    3.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9153    1.0251    3.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5618   -0.6800    2.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6263   -3.3888   -0.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7039   -2.4156    1.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7551   -4.2041    1.4404 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6499   -3.1757    2.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0426   -3.7988    1.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9135   -3.7058    3.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7640   -1.2564    2.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8616   -1.2460    1.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3217   -3.6103    1.1319 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6427   -2.8389    1.4621 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0156   -0.7627    2.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3973    1.6936    2.8675 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3782    0.8737    4.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3018    1.6026    4.7788 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9655    1.9796    4.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3624    0.3421    4.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3548    1.2022    2.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
$$$$

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2024-05-29, 1087👍, 0💬