Molecule FYI-1003872

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A

Molecule Summary:

ID: FYI-1003872
Names:
InChIKey: WCOZTKFMJYNNLV-UHFFFAOYSA-N
SMILES: Nc1ncc([N+](=O)O)s1

Received at FYIcenter.com on: 2023-08-02

Molecule ID: FYI-1003872 Edit

Molecule Structure InChIKey: WCOZTKFMJYNNLV-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ncc([N+](=O)O)s1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003872
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.3577    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7903    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6577    2.1544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5251    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9577    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2222    1.8438    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0928    1.8448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8315    3.1882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003872-3D
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.0853    0.0823   -0.1309 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7696   -0.1606   -0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2657   -1.3683   -0.0261 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1154   -1.3021    0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6446   -0.0297    0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0156    0.2747    0.0520 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.8228   -0.6301    0.0651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4563    1.5885    0.0623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3762    1.1179   -0.0002 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034   -0.6984    0.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4464    0.9923    0.1232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6904   -2.2217    0.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6228    2.0800    0.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 13  1  0  0  0  0
M  END
$$$$

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2023-08-09, 2452👍, 0💬