Molecule FYI-1012809

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Molecule Summary:

ID: FYI-1012809
Names:
InChIKey: CWLKGDAVCFYWJK-UHFFFAOYSA-N
SMILES: Nc1cccc(O)c1

Received at FYIcenter.com on: 2024-10-23

Molecule ID: FYI-1012809 Edit

Molecule Structure InChIKey: CWLKGDAVCFYWJK-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1cccc(O)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1012809
FYIcenter.com

  8  8  0  0  0  0  0  0  0  0999 V2000
    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
    2.4249    0.0000    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
    3.6373    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
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  8  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012809-3D
FYIcenter.com

 15 15  0     0  0  0  0  0  0999 V2000
   -2.3798    1.0586    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4366    1.0258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    0.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0072    1.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2091    0.3644   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1900   -1.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2256   -1.0304   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0261   -1.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0134    2.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1180   -1.6254    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1663   -1.5744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0390   -2.8283    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3066    0.5101    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4496    2.0370    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1202    0.4277    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
$$$$

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2024-10-25, 1475👍, 0💬