Molecule FYI-1000355

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A

Molecule Summary:

ID: FYI-1000355
SMILES: CC(=)NC1==CC=C(O)C=C1

Received at FYIcenter.com on: 2021-04-14

Molecule ID: FYI-1000355 Edit

Molecule Structure SMILES String: CC(=)NC1==CC=C(O)C=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000355
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   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
    1.2124    2.1000    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 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
    3.6373    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  3  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  7  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000355-3D
FYIcenter.com

 19 19  0  0  0  0  0  0  0  0999 V2000
    0.9853    0.4394    0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4804    0.3765    0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1457   -0.0864    1.1050 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5517   -0.1482    1.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3266    0.8842    0.4852 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7208    0.8089    0.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3475   -0.2957    1.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7050   -0.3998    1.0844 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5965   -1.3281    1.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2009   -1.2482    1.5906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6315    1.1572   -0.5975 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6499    0.7469    1.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5783   -0.5478   -0.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9553    0.6886   -0.8487 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    1.7708    0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2949    1.6246    0.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0863    0.4073    0.6948 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0952   -2.1816    2.0533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6148   -2.0485    2.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  3  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END
$$$$

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2021-05-16, 2896👍, 0💬