Molecule FYI-1000459

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A

Molecule Summary:

ID: FYI-1000459
SMILES: CC(=O)NC1=CC=C(C=C1)O

Received at FYIcenter.com on: 2021-07-12

Molecule ID: FYI-1000459 Edit

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1000459
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
    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
    0.0000    0.0000    0.0000 O   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  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000459-3D
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.0858    0.2554   -0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5533    0.0946   -0.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9411   -0.7803   -1.1697 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3360    1.0153    0.2723 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7389    1.1437    0.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5176    0.5093   -0.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9096    0.6410   -0.7751 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5225    1.4125    0.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7646    2.0756    1.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3722    1.9502    1.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8779    1.5405    0.2592 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5529   -0.6506   -0.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6934    1.1077   -0.6633 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9210    0.4036    0.9677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8728    1.5940    0.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0676   -0.0912   -1.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4865    0.1318   -1.5405 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2561    2.6784    1.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8002    2.4685    1.9134 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2674    0.9770   -0.4301 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  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  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
 11 20  1  0  0  0  0
M  END
$$$$

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2021-10-02, 2847👍, 0💬