-ISIS-  08091621332D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    0.0542   -0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -1.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5542    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0625   -0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625   -1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5667   -1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0417    1.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083   -0.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    0.6208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0667   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  9  2  0  0  0  0
  9  6  1  0  0  0  0
 10 13  2  0  0  0  0
 11  6  2  0  0  0  0
 12  5  1  0  0  0  0
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 14  7  2  0  0  0  0
 15  8  1  0  0  0  0
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 17 14  1  0  0  0  0
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  3  5  1  0  0  0  0
 12 16  2  0  0  0  0
 10  8  1  0  0  0  0
M  END
>  <ID> (BBL000252)
BBL000252

>  <Rotatable_Bonds> (BBL000252)
1

>  <logP> (BBL000252)
4.093

>  <PSA> (BBL000252)
52.05

>  <H_Donors> (BBL000252)
2

>  <H_Acceptors> (BBL000252)
1

>  <Number_of_rings> (BBL000252)
3

>  <NAME> (BBL000252)
5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylaniline

>  <Mol_Weight> (BBL000252)
258.71

>  <Mol_Formula> (BBL000252)
C14H11ClN2O

>  <Smiles> (BBL000252)
Clc1ccc2c(c1)nc(o2)c1ccc(c(c1)N)C

>  <CAS_Number> (BBL000252)
292058-49-2

>  <Alternative_identifier> (BBL000252)
MFCD00656147

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