Molecule FYI-1010493

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Molecule Summary:

ID: FYI-1010493
Names:
InChIKey: XBQYRNRIHZDZPK-UHFFFAOYSA-N
SMILES: Nc1cccc(N)c1O

Received at FYIcenter.com on: 2024-06-10

Molecule ID: FYI-1010493 Edit

Molecule Structure InChIKey: XBQYRNRIHZDZPK-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1cccc(N)c1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010493
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010493-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
    0.0002   -2.1447   -0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4391   -0.7740    0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4394   -0.7734    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001   -0.7796   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080   -0.0822   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081   -0.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2082    1.3127   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2078    1.3130    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003    2.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1423    1.8686   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1419    1.8690    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0005    3.0963    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4927   -1.7712   -0.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2994   -0.2405   -0.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3104   -0.2596   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4478   -1.7848   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8873   -2.4776    0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 17  1  0  0  0  0
  2  5  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  6  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
$$$$

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2024-06-30, 1420👍, 0💬