Molecule FYI-1008900

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A

Molecule Summary:

ID: FYI-1008900
Names:
InChIKey: LKMUDFIWFHZKIQ-UHFFFAOYSA-N
SMILES: CCOc1ccccc1C(=O)NC

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008900 Edit

Molecule Structure InChIKey: LKMUDFIWFHZKIQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOc1ccccc1C(=O)NC

Download SDF Download SVG Structure in 2D SDF:

FYI-1008900
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    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
    4.8498    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  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  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008900-3D
FYIcenter.com

 26 26  0     0  0  0  0  0  0999 V2000
   -0.9579   -1.4273   -0.4894 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6307   -0.9975   -1.0049 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5581    0.5507    0.4508 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1988    0.6449   -0.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9841   -0.0853   -0.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1503    2.0179    0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2155    0.5574   -0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4950   -0.0062   -0.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5685   -2.2686    0.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0813    2.6606    0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2641    1.9304    0.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685   -3.6109    0.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9071    0.0339    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0467    2.6279    0.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1457    0.0041   -0.2223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4986   -1.8250    1.4876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6255   -2.4009    0.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1198    3.7309    0.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2230    2.4316    0.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3204   -4.2872    1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9214   -4.0745   -0.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1935   -3.4909    0.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3872    1.3129    1.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0182   -0.7014    1.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6010    0.8621    0.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1058   -0.4406   -0.5560 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  2  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1647👍, 0💬