Molecule FYI-1007535

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A

Molecule Summary:

ID: FYI-1007535
Names:
InChIKey: DFPAKSUCGFBDDF-UHFFFAOYSA-N
SMILES: NC(=O)c1cccnc1

Received at FYIcenter.com on: 2024-02-28

Molecule ID: FYI-1007535 Edit

Molecule Structure InChIKey: DFPAKSUCGFBDDF-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)c1cccnc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007535
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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  2  1  0  0  0  0
  5  4  2  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
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007535-3D
FYIcenter.com

 15 15  0     0  0  0  0  0  0999 V2000
   -2.3940    1.1116   -0.0088 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7614   -1.2284   -0.0034 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4052   -1.1814    0.0027 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2969    0.0397    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4261    1.2273    0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4117   -1.1510   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8161    1.1886    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7494    0.0472    0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4302   -0.0535   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0720    2.1930    0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0488   -2.1309   -0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4005    2.1016    0.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5119   -0.1381   -0.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9562   -2.0884    0.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4202   -1.2053   -0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  6  1  0  0  0  0
  2  9  2  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
$$$$

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2024-03-07, 147👍, 0💬