Molecule FYI-1007185

A

Molecule Summary:

ID: FYI-1007185
Names:
InChIKey: FCSPHWWFSVMHRY-SOFGYWHQSA-O
SMILES: CC(=O)[OH+]c2cc(/C=C/c1ccc(O)cc1F)nc3ccccc23

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

Molecule ID: FYI-1007185 Edit

Molecule Structure InChIKey: FCSPHWWFSVMHRY-SOFGYWHQSA-O

Molecule Structure SMILES String: CC(=O)[OH+]c2cc(/C=C/c1ccc(O)cc1F)nc3ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1007185
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.3000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.4247    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.0000    0.0000 O   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
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007185-3D
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
    0.9813    2.1967   -0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4626    2.4407   -0.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9182    3.5767   -0.2278 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1942    1.2857   -0.3385 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.5778    1.2813   -0.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2865    2.2627    0.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6678    2.2503    0.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4065    3.3015    1.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7446    3.4153    1.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4483    4.4822    1.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7173    4.2098    2.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4198    5.1939    3.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8625    6.4588    3.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5083    7.4464    3.9423 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6216    6.7580    2.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9288    5.7772    2.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7391    6.1075    1.4941 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3625    1.2926   -0.2509 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7155    0.3182   -0.8976 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -0.6474   -1.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9263   -1.7064   -2.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5480   -1.8042   -2.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7397   -0.8436   -1.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3041    0.2412   -0.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4774    3.1328   -0.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7120    1.4492    0.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6588    1.8835   -1.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7273    0.5219   -0.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7925    3.0480    0.9553 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7918    4.0289    1.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3725    2.6897    0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1651    3.2251    2.2854 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3940    4.9545    3.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3695    7.1152    4.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1886    7.7460    2.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5772   -0.5724   -1.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5692   -2.4455   -2.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1078   -2.6279   -2.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6717   -0.9840   -1.8386 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  2  0  0  0  0
  6  7  2  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  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 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
$$$$

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2024-02-18, 192👍, 0💬