Molecule FYI-1001538

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A

Molecule Summary:

ID: FYI-1001538
SMILES: CC1=C(C=C2C=CC(=C(C2=N1)F)F)OC3=C(C(=CC=C3)F)C(C)(C)O

Received at FYIcenter.com on: 2022-08-30

Molecule ID: FYI-1001538 Edit

Molecule Structure SMILES String: CC1=C(C=C2C=CC(=C(C2=N1)F)F)OC3=C(C(=CC=C3)F)C(C)(C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001538
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    6.3000    0.0000 O   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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  2  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14  3  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001538-3D
FYIcenter.com

 41 43  0  0  0  0  0  0  0  0999 V2000
    4.7151   -2.1262    1.8423 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460   -3.3877    1.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9093   -3.3978    0.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3511   -4.6371    0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9026   -5.8175    0.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2842   -7.0545    0.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8709   -8.2339    0.9519 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0722   -8.1676    1.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6624   -6.9422    1.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0883   -5.7373    1.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6359   -4.5381    1.8190 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8200   -6.9305    2.6134 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6605   -9.3078    2.0299 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3673   -2.2173    0.0722 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9844   -2.1340   -0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573   -1.6179   -1.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0556   -1.5875   -1.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8107   -2.0498   -0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1726   -2.5422    1.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -2.5570    1.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7382   -1.1013   -2.1841 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0630   -1.0863   -2.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6370   -1.8518   -3.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7962    0.4152   -2.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4874   -1.2179   -2.3598 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0071   -1.2997    1.9466 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5097   -1.8436    1.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1696   -2.2834    2.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4681   -4.6908   -0.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3402   -7.1025   -0.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4092   -9.1970    0.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8944   -2.0092   -0.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7496   -2.9083    1.9099 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7043   -2.9293    2.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4269   -1.7477   -3.9153 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8596   -2.9211   -3.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1960   -1.4950   -4.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2693    0.6596   -2.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2624    0.7763   -3.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2363    0.9987   -1.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6912   -2.0791   -1.9592 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 117👍, 0💬