Molecule FYI-1001016

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Molecule Summary:

ID: FYI-1001016
SMILES: CC(=O)Nc1ccc(O)cc1

Received at FYIcenter.com on: 2021-10-09

Molecule ID: FYI-1001016 Edit

Molecule Structure SMILES String: CC(=O)Nc1ccc(O)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001016
FYIcenter.com

 11 11  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
    6.0622    0.7000    0.0000 O   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 11  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001016-3D
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.0803   -0.1999    0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5489    0.0791    0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9382    1.2067    0.6598 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291   -1.0508    0.2014 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7313   -1.1323    0.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5109   -0.1273    0.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9022   -0.2507    0.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5137   -1.3857    0.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8685   -1.5299    0.4738 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7548   -2.4085   -0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623   -2.2873   -0.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5477    0.7461    0.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6881   -0.7063    1.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9151   -0.8166   -0.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8647   -1.8797   -0.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0617    0.7652    1.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4799    0.5491    1.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2604   -0.7154    0.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2450   -3.2922   -0.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7898   -3.0927   -0.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  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 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
$$$$

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2022-03-29, 1867👍, 0💬