Molecule FYI-1006089

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A

Molecule Summary:

ID: FYI-1006089
Names:
InChIKey: DKNDBIIKSJWQFL-UHFFFAOYSA-N
SMILES: CN(C)CCC(=O)c1ccccc1.Cl

Received at FYIcenter.com on: 2023-11-26

Molecule ID: FYI-1006089 Edit

Molecule Structure InChIKey: DKNDBIIKSJWQFL-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)CCC(=O)c1ccccc1.Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1006089
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    2.2209    8.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6997    7.4072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0784    7.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7997    6.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2786    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787    3.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8575    2.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9576    1.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4365    0.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8152    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7150    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2362    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0148    4.0928    0.0000 Cl  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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006089-3D
FYIcenter.com

 30 29  0  0  0  0  0  0  0  0999 V2000
    2.8607   -0.5805    2.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5319   -1.5724    1.6978 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0774   -1.6039    1.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2132   -1.2820    0.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7458   -1.3916    0.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2373   -2.7541    0.9493 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4310   -3.6388    1.1999 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6952   -3.0373    1.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6614   -2.0455    0.8112 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0239   -2.3305    0.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4419   -3.6044    1.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4983   -4.5964    1.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1336   -4.3174    1.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3634    1.3529    0.9430 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2616   -0.7656    3.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6720    0.4569    2.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9203   -0.6837    3.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5391   -1.7793    2.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8141   -2.4407    0.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7214   -0.6516    1.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9471   -0.2623    0.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8762   -2.0103   -0.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1347   -0.6169    1.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1623   -1.1783   -0.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3755   -1.0473    0.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7567   -1.5612    0.7235 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4980   -3.8224    1.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8235   -5.5841    1.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4218   -5.1050    1.6865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0505    1.6957    1.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
M  END
$$$$

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2023-12-01, 2290👍, 0💬