Molecule FYI-1008797

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A

Molecule Summary:

ID: FYI-1008797
Names:
InChIKey: BFJOJIJWHRDGQO-UHFFFAOYSA-N
SMILES: CNC(=O)CCN

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

Molecule ID: FYI-1008797 Edit

Molecule Structure InChIKey: BFJOJIJWHRDGQO-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC(=O)CCN

Download SDF Download SVG Structure in 2D SDF:

FYI-1008797
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 N   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
    3.6374    2.1000    0.0000 O   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
    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 N   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  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008797-3D
FYIcenter.com

 17 16  0     0  0  0  0  0  0999 V2000
   -0.6623   -1.3867    0.0014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6475    0.7145   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.3793    0.0059 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7543    0.5775   -0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9467   -0.3731   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721   -0.1620   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0142    0.2505    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7820    1.2215   -0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7861    1.2238    0.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174   -1.0201   -0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125   -1.0235    0.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4798    1.7159    0.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2507    0.9642   -0.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9804   -0.2680   -0.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1077   -0.6619   -0.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6491    1.0358   -0.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3081    0.0462    1.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
M  END
$$$$

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2024-04-29, 993👍, 0💬