Molecule FYI-1000305

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A

Molecule Summary:

ID: FYI-1000305
SMILES: CCc1ccc(O)c(/N=N/c2ccc(C)cc2C)c1

Received at FYIcenter.com on: 2021-04-05

Molecule ID: FYI-1000305 Edit

Molecule Structure SMILES String: CCc1ccc(O)c(/N=N/c2ccc(C)cc2C)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000305
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    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
    8.4871    4.9000    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    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   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
    2.4249    2.8000    0.0000 C   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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 17 11  1  0  0  0  0
 18 17  1  0  0  0  0
 19  8  2  0  0  0  0
 19  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000305-3D
FYIcenter.com

 37 38  0  0  0  0  0  0  0  0999 V2000
    0.5156   -0.1977    1.9678 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6360    0.1021    0.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4977    1.2498    1.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6121    1.0069    2.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4061    2.0635    2.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0844    3.3765    2.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8920    4.3969    2.7811 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9616    3.6601    1.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988    4.9587    1.1185 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5239    5.7580    2.0782 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0774    7.0394    1.6814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9399    7.1926    0.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4242    8.4573    0.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0295    9.6031    1.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4573   10.9634    0.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1767    9.4675    1.8837 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7058    8.1974    2.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9361    8.0937    3.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1842    2.5770    1.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0846   -1.0428    1.6151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1485    0.6646    2.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9128   -0.4542    2.9559 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2146    0.3290   -0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2555   -0.7933    0.8480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8751   -0.0109    2.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2701    1.8487    3.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5292    4.0443    3.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4388    6.3110    0.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4651    8.5313   -0.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4422   10.9051    0.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1885   11.5859    0.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1799   11.4482    1.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6547   10.3595    2.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2908    9.0823    3.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7481    7.6150    2.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7236    7.5195    3.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3157    2.7784    0.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  2  0  0  0  0
  4  5  2  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END
$$$$

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2022-07-01, 3842👍, 0💬