-ISIS-  08091621332D

 21 24  0  0  0  0  0  0  0  0999 V2000
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   -0.5250   -1.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5667    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0667    0.9333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708   -1.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2083   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5667    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  3  1  0  0  0  0
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 12  9  2  0  0  0  0
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 19 17  2  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
  4  7  2  0  0  0  0
  8 18  2  0  0  0  0
 12 15  1  0  0  0  0
 21 10  2  0  0  0  0
M  END
>  <ID> (BBL000208)
BBL000208

>  <Rotatable_Bonds> (BBL000208)
1

>  <logP> (BBL000208)
4.555

>  <PSA> (BBL000208)
52.05

>  <H_Donors> (BBL000208)
2

>  <H_Acceptors> (BBL000208)
1

>  <Number_of_rings> (BBL000208)
4

>  <NAME> (BBL000208)
2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-amine

>  <Mol_Weight> (BBL000208)
294.74

>  <Mol_Formula> (BBL000208)
C17H11ClN2O

>  <Smiles> (BBL000208)
Nc1ccc2c(c1)nc(o2)c1cccc2c1cccc2Cl

>  <CAS_Number> (BBL000208)
443289-56-3

>  <Alternative_identifier> (BBL000208)
MFCD03031301

$$$$