Molecule FYI-1001343

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A

Molecule Summary:

ID: FYI-1001343
SMILES: Clc1ccc2c(c1)C(=O)C(=O)N2

Received at FYIcenter.com on: 2022-05-26

Molecule ID: FYI-1001343 Edit

Molecule Structure SMILES String: Clc1ccc2c(c1)C(=O)C(=O)N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001343
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.7434    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    5.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    5.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2429    4.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4409    3.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5041    4.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2945    1.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0821    1.2388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8646    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    2.4098    0.0000 N   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  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
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 12  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001343-3D
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
   -3.5664   -0.5255   -0.0033 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9497    0.0647   -0.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7247    1.4577   -0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4236    1.9774   -0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6171    1.0736   -0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3807   -0.3004   -0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8891   -0.8405   -0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6881   -0.9599   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9050   -2.1489   -0.0077 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7277    0.1969    0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9323    0.0842    0.0152 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9786    1.3579    0.0083 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5724    2.1411   -0.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2546    3.0490   -0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0439   -1.9139   -0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3981    2.2765    0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-01, 1797👍, 0💬