-ISIS-  08251614182D

 28 30  0  0  0  0  0  0  0  0999 V2000
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    0.4167   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3000   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1792   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1750   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3292    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0292   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0417   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0417   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000   -1.7417    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1583   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2833    1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    2.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8958   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8958   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    0.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8958   -0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667    3.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1333    2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  1  2  0  0  0  0
  9  7  1  0  0  0  0
 10  2  2  0  0  0  0
 11  2  1  0  0  0  0
 12  3  2  0  0  0  0
 13  6  2  0  0  0  0
 14  9  2  0  0  0  0
 15  8  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19  9  1  0  0  0  0
 20 11  2  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23 18  1  0  0  0  0
 24 19  2  0  0  0  0
 25 24  1  0  0  0  0
 26 20  1  0  0  0  0
 27 21  2  0  0  0  0
 28 27  1  0  0  0  0
 16 12  1  0  0  0  0
 25 22  2  0  0  0  0
 28 26  2  0  0  0  0
M  END
>  <ID> (STK841751)
STK841751

>  <Rotatable_Bonds> (STK841751)
6

>  <logP> (STK841751)
5.724

>  <PSA> (STK841751)
52.6

>  <H_Donors> (STK841751)
0

>  <H_Acceptors> (STK841751)
4

>  <Number_of_rings> (STK841751)
3

>  <NAME> (STK841751)
4-fluoro-2-[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl benzoate

>  <Mol_Weight> (STK841751)
376.38

>  <Mol_Formula> (STK841751)
C23H17FO4

>  <Smiles> (STK841751)
COc1ccccc1/C=C/C(=O)c1cc(F)ccc1OC(=O)c1ccccc1

$$$$