Molecule FYI-1000382

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Molecule Summary:

ID: FYI-1000382
SMILES: O=C(O)c1ccc(Cl)nc1Cl

Received at FYIcenter.com on: 2021-04-30

Molecule ID: FYI-1000382 Edit

Molecule Structure SMILES String: O=C(O)c1ccc(Cl)nc1Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1000382
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.5781    2.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5781    3.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3657    4.2311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1532    3.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1532    2.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3657    1.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3248    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7455    4.3039    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7721    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9535    2.1511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  2  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000382-3D
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.0116   -0.3871   -1.1802 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1612   -0.0848   -0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8188   -0.9101    0.9999 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8365    1.1714    0.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7982    1.6869   -0.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4442    2.8850   -0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0963    3.5286    0.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8280    5.0123    1.4136 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1798    3.0707    1.8436 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5661    1.9095    1.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4065    1.4486    2.7061 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9316   -0.5770    1.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0428    1.1585   -1.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917    3.2996   -0.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
$$$$

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2021-10-10, 538👍, 0💬