Molecule FYI-1007230

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A

Molecule Summary:

ID: FYI-1007230
Names:
InChIKey: AQHOFBNLSJDCPL-UHFFFAOYSA-N
SMILES: NC(=O)CCCCCCCCCCCCCCCCCc1ccccc1

Received at FYIcenter.com on: 2024-02-09

Molecule ID: FYI-1007230 Edit

Molecule Structure InChIKey: AQHOFBNLSJDCPL-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)CCCCCCCCCCCCCCCCCc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007230
FYIcenter.com

 26 26  0  0  0  0  0  0  0  0999 V2000
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   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
    3.6373    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
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    1.2124    2.1000    0.0000 O   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  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
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 18 17  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007230-3D
FYIcenter.com

 67 67  0  0  0  0  0  0  0  0999 V2000
    1.1192    0.0621    0.0723 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4729    0.1174    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0206    0.8615   -0.7996 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2103   -0.7795    0.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7190   -0.6243    0.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4877   -1.5132    1.7855 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9866   -1.3307    1.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7580   -2.2175    2.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2525   -2.0336    2.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0176   -2.9232    3.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5104   -2.7377    3.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2732   -3.6257    4.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7651   -3.4411    3.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5267   -4.3289    4.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0179   -4.1444    4.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7754   -5.0337    5.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5140   -5.5489    6.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2966   -6.4318    7.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7798   -6.2714    6.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4618   -5.2840    7.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0031    0.4236    0.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7455   -2.6766    4.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 28  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
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 17 18  1  0  0  0  0
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 18 57  1  0  0  0  0
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 19 20  1  0  0  0  0
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 19 60  1  0  0  0  0
 20 21  1  0  0  0  0
 20 61  1  0  0  0  0
 20 62  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 63  1  0  0  0  0
 23 24  1  0  0  0  0
 23 64  1  0  0  0  0
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 25 26  1  0  0  0  0
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 26 67  1  0  0  0  0
M  END
$$$$

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2024-02-18, 1699👍, 0💬