Molecule FYI-1004354

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Molecule Summary:

ID: FYI-1004354
Names:
InChIKey: KJSVEBCKJYJKMM-SNAWJCMRSA-N
SMILES: CCNC/C=C/NC

Received at FYIcenter.com on: 2023-09-01

Molecule ID: FYI-1004354 Edit

Molecule Structure InChIKey: KJSVEBCKJYJKMM-SNAWJCMRSA-N

Molecule Structure SMILES String: CCNC/C=C/NC

Download SDF Download SVG Structure in 2D SDF:

FYI-1004354
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  2  0  0  0  0
  8  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004354-3D
FYIcenter.com

 22 21  0     0  0  0  0  0  0999 V2000
    1.7285    0.1050    0.2633 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9658    0.1362    0.3790 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6671   -0.7580   -0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9859   -0.1637   -0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6329   -0.5017    0.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0849    0.7343    0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7495   -0.1081   -0.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1182    0.5559   -0.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9318   -1.8094   -0.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5525   -0.6167   -1.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2830   -1.2084   -0.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8847    0.0081   -1.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4716    1.0817    0.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6574   -0.6605    1.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.5735    1.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8474    1.7919   -0.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0306    0.5223   -0.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7385    0.0484   -1.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0629    0.0130    1.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9269    1.5100   -0.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3826   -0.1950   -1.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9760    0.6873    0.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 13  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  2  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
M  END
$$$$

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2023-09-07, 2132👍, 0💬