-ISIS-  08251613322D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    2.8417   -0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792   -1.1333    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    2.0042   -1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8417    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042    0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -2.1125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5625   -0.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833   -1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2500    0.8417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6958    0.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7792    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5667    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5667    1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7 13  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18  8  2  0  0  0  0
 19  3  2  0  0  0  0
 20 16  1  0  0  0  0
 21 14  1  0  0  0  0
 22  9  2  0  0  0  0
 23 11  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
  5 11  1  0  0  0  0
  6  4  1  0  0  0  0
 23 25  1  0  0  0  0
  7 14  2  0  0  0  0
M  CHG  2   8   1  17  -1
M  END
>  <ID> (STK672917)
STK672917

>  <Rotatable_Bonds> (STK672917)
2

>  <logP> (STK672917)
5.552

>  <PSA> (STK672917)
126.24

>  <H_Donors> (STK672917)
1

>  <H_Acceptors> (STK672917)
4

>  <Number_of_rings> (STK672917)
4

>  <NAME> (STK672917)
(2Z)-2-(2-chloro-4-hydroxy-5-nitrobenzylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one

>  <Mol_Weight> (STK672917)
373.78

>  <Mol_Formula> (STK672917)
C16H8ClN3O4S

>  <Smiles> (STK672917)
Clc1cc(O)c(cc1/C=c/1\sc2n(c1=O)c1c(n2)cccc1)[N+](=O)[O-]

$$$$