Molecule FYI-1001375

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Molecule Summary:

ID: FYI-1001375
SMILES: Oc1cc(Cl)ccc1Oc1ccc(Cl)cn1

Received at FYIcenter.com on: 2022-06-16

Molecule ID: FYI-1001375 Edit

Molecule Structure SMILES String: Oc1cc(Cl)ccc1Oc1ccc(Cl)cn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001375
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.5369    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.6200    0.0000 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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  2  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 10 16  2  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 15 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001375-3D
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.4292   -1.5646    0.4720 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5312   -0.5655    0.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1760   -0.8802    0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7602    0.1431    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4381   -0.2398   -0.0359 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3524    1.4742   -0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0096    1.7827   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9627    0.7627    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2723    1.1780    0.1645 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2418    0.4762   -0.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5492    0.6331   -0.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5667   -0.0606   -0.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2376   -0.8893   -1.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4489   -1.7925   -2.6309 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9070   -0.9659   -2.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9038   -0.2735   -1.6192 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0364   -2.4084    0.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1593   -1.9107    0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0857    2.2724   -0.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    2.8205   -0.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7678    1.2750    0.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5950    0.0388   -0.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5988   -1.6120   -3.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 1051👍, 0💬