-ISIS-  08251614182D

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    3.8375    1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
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 10 17  1  0  0  0  0
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M  END
>  <ID> (STK841710)
STK841710

>  <Rotatable_Bonds> (STK841710)
6

>  <logP> (STK841710)
6.898

>  <PSA> (STK841710)
48.67

>  <H_Donors> (STK841710)
0

>  <H_Acceptors> (STK841710)
4

>  <Number_of_rings> (STK841710)
3

>  <NAME> (STK841710)
ethyl 2-tert-butyl-5-[(2-methylbenzyl)oxy]-1-benzofuran-3-carboxylate

>  <Mol_Weight> (STK841710)
366.46

>  <Mol_Formula> (STK841710)
C23H26O4

>  <Smiles> (STK841710)
CCOC(=O)c1c2cc(OCc3ccccc3C)ccc2oc1C(C)(C)C

$$$$