-ISIS-  08091621332D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.8042   -0.4042    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7167   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3792   -0.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8792   -1.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9042   -1.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9417    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9167    0.9833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    1.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9417    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0792    1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.1083    0.0000 C   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  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  6  2  0  0  0  0
 14 13  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  2  0  0  0  0
  4  3  1  0  0  0  0
 16 11  1  0  0  0  0
M  END
>  <ID> (BBL000683)
BBL000683

>  <Rotatable_Bonds> (BBL000683)
1

>  <logP> (BBL000683)
1.174

>  <PSA> (BBL000683)
111.5

>  <H_Donors> (BBL000683)
1

>  <H_Acceptors> (BBL000683)
1

>  <Number_of_rings> (BBL000683)
2

>  <NAME> (BBL000683)
N-[3-(5-sulfanyl-1H-tetrazol-1-yl)phenyl]acetamide

>  <Mol_Weight> (BBL000683)
235.27

>  <Mol_Formula> (BBL000683)
C9H9N5OS

>  <Smiles> (BBL000683)
CC(=O)Nc1cccc(c1)n1nnnc1S

>  <CAS_Number> (BBL000683)
14070-48-5

>  <Alternative_identifier> (BBL000683)
MFCD00603728

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