Molecule FYI-1007170

A

Molecule Summary:

ID: FYI-1007170
Names:
InChIKey: RSGDZEGVUFOCOY-MDZDMXLPSA-N
SMILES: N#Cc3ccc(/C=C/c2cc(O)c1ccccc1n2)cc3

Received at FYIcenter.com on: 2024-02-06

Molecule ID: FYI-1007170 Edit

Molecule Structure InChIKey: RSGDZEGVUFOCOY-MDZDMXLPSA-N

Molecule Structure SMILES String: N#Cc3ccc(/C=C/c2cc(O)c1ccccc1n2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007170
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    0.0000    0.0000 N   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
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007170-3D
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
   -2.7189   -2.4497   -2.2790 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5911   -2.3606   -2.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2040   -2.2495   -1.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3109   -1.0408   -1.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6697   -0.9294   -0.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5302   -2.0246   -1.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9763   -1.9415   -0.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5776   -1.1393    0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0387   -1.1015    0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6059   -0.2436    1.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9831   -0.2903    1.4025 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5905    0.5299    2.3182 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7660   -1.1922    0.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1576   -1.3274    0.8445 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8752   -2.2808    0.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2169   -3.0790   -0.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8426   -2.9250   -0.9970 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991   -2.0083   -0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7714   -1.9525   -0.4506 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0044   -3.2309   -1.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6469   -3.3467   -1.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3366   -0.1737   -1.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0452    0.0317   -0.5348 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5859   -2.6086   -1.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0019   -0.4896    0.7711 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9906    0.4236    1.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9202    1.0758    2.7601 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6763   -0.6980    1.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9410   -2.4016    0.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7653   -3.8273   -1.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3334   -3.5510   -1.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6498   -4.0967   -1.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2649   -4.2955   -2.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  2  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  2  0  0  0  0
  7  8  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  2  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  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 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
M  END
$$$$

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2024-02-18, 1104👍, 0💬