-ISIS-  08091621332D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.9750    0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7083    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.9917    0.0000 Cl  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  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9 10  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
  4  3  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <ID> (BBL000397)
BBL000397

>  <Rotatable_Bonds> (BBL000397)
0

>  <logP> (BBL000397)
2.459

>  <PSA> (BBL000397)
52.05

>  <H_Donors> (BBL000397)
2

>  <H_Acceptors> (BBL000397)
1

>  <Number_of_rings> (BBL000397)
2

>  <NAME> (BBL000397)
6-chloro-1,3-benzoxazol-2-amine

>  <Mol_Weight> (BBL000397)
168.58

>  <Mol_Formula> (BBL000397)
C7H5ClN2O

>  <Smiles> (BBL000397)
Clc1ccc2c(c1)oc(n2)N

>  <CAS_Number> (BBL000397)
52112-68-2

>  <Alternative_identifier> (BBL000397)
MFCD01664218

$$$$