Molecule FYI-1014007

A

Molecule Summary:

ID: FYI-1014007
Names:
InChIKey: BTLDMKOQBJPFBM-UHFFFAOYSA-N
SMILES: CNC3CC(c1ccccc1)C(c2ccc(Cl)c(Cl)c2)C3

Received at FYIcenter.com on: 2025-02-16

Molecule ID: FYI-1014007 Edit

Molecule Structure InChIKey: BTLDMKOQBJPFBM-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC3CC(c1ccccc1)C(c2ccc(Cl)c(Cl)c2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014007
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    5.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    3.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    6.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9159    5.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8526    6.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1527    7.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7833    7.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2071    4.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    3.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4578    1.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7891    1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8294    2.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5384    3.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7220    9.0087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0801    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1630    1.8727    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1143    9.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  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
  5  6  2  0  0  0  0
  5  7  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
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 10 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014007-3D
FYIcenter.com

 40 42  0  0  1  0  0  0  0  0999 V2000
    2.8517    0.3967    1.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1578    0.1005   -0.0427 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7448   -1.0450   -0.7358 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0090   -1.3635   -2.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4174   -2.8158   -2.3863 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3356   -3.0015   -3.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2656   -2.0335   -3.9883 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1791   -2.3041   -5.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1605   -3.5350   -5.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2174   -4.4909   -5.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3127   -4.2282   -4.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -3.4448   -1.0366 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3456   -3.9771   -0.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4728   -3.1708   -1.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7599   -3.7142   -1.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9528   -5.0695   -0.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5682   -5.6784   -1.0163 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8512   -5.8814   -0.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0128   -7.5599   -0.2942 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5596   -5.3369   -0.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6508   -2.3661    0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4720    1.3381    1.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9306    0.5080    1.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6715   -0.3777    1.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2046    0.9183   -0.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7866   -0.8061   -0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2110   -0.6336   -2.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9246   -1.3395   -1.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4741   -3.3169   -2.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3299   -1.0716   -3.4890 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9211   -1.5583   -5.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8830   -3.7513   -6.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1945   -5.4525   -5.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5998   -5.0018   -3.9844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2506   -4.2896   -0.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3765   -2.1115   -1.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6053   -3.0683   -1.4267 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7119   -5.9864   -0.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3408   -2.4174    0.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6339   -2.4964    0.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  2  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END
$$$$

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2025-03-12, 1389👍, 0💬