Molecule FYI-1002237

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A

Molecule Summary:

ID: FYI-1002237
Names:
InChIKey: PPCMXWAVIIIOQZ-CAOOACKPSA-N
SMILES: Cc1ccccc1/N=C/c2cc(Cl)cc(Cl)c2O

Received at FYIcenter.com on: 2023-02-09

Molecule ID: FYI-1002237 Edit

Molecule Structure InChIKey: PPCMXWAVIIIOQZ-CAOOACKPSA-N

Molecule Structure SMILES String: Cc1ccccc1/N=C/c2cc(Cl)cc(Cl)c2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002237
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   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  7  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 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 18 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002237-3D
FYIcenter.com

 29 30  0  0  0  0  0  0  0  0999 V2000
    2.1999    0.1990   -1.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8925    0.0562   -0.5651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1173    1.2187   -0.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1212    1.1687    0.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5943   -0.0437    0.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8261   -1.2001    0.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4203   -1.1774   -0.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0514   -2.4291   -0.2430 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2864   -2.5736    0.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9883   -3.8734   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2600   -5.0656   -0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9392   -6.2870   -0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0496   -7.7589   -0.1882 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3310   -6.3366   -0.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0522   -5.1437   -0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7745   -5.2044    0.0353 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3855   -3.9136    0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0965   -2.7435    0.1110 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2925    1.1876   -1.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2848   -0.5422   -2.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0405    0.1003   -0.5982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4678    2.1774   -0.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7157    2.0728    0.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5630   -0.0955    1.2299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2160   -2.1476    0.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8762   -1.7403    0.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1736   -5.0439   -0.1185 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8481   -7.2904   -0.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0464   -2.9715    0.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  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 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  2  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 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
$$$$

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2023-02-28, 2593👍, 0💬