-ISIS-  08091621332D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.0250   -0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5708    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708   -0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9708    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    1.3083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7042   -0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5708    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7042    0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    1.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458   -1.5042    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708    1.4958    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.5708   -1.2333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    0.4958    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  3  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16  8  2  0  0  0  0
 17 11  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
  5  6  1  0  0  0  0
  7  9  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <ID> (BBL000257)
BBL000257

>  <Rotatable_Bonds> (BBL000257)
1

>  <logP> (BBL000257)
5.371

>  <PSA> (BBL000257)
52.05

>  <H_Donors> (BBL000257)
2

>  <H_Acceptors> (BBL000257)
1

>  <Number_of_rings> (BBL000257)
3

>  <NAME> (BBL000257)
4,6-dibromo-2-(2-chlorophenyl)-1,3-benzoxazol-5-amine

>  <Mol_Weight> (BBL000257)
402.47

>  <Mol_Formula> (BBL000257)
C13H7Br2ClN2O

>  <Smiles> (BBL000257)
Clc1ccccc1c1oc2c(n1)c(Br)c(c(c2)Br)N

>  <CAS_Number> (BBL000257)
531515-79-4

>  <Alternative_identifier> (BBL000257)
MFCD03565517

$$$$