-ISIS-  08091621332D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.5667    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0167   -0.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0167    0.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9667   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9667    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -0.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0667    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8375   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8375    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7042   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -1.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625    1.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7042    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5667   -1.0042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5625   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  2  0  0  0  0
  9  2  2  0  0  0  0
 10  5  1  0  0  0  0
 11 12  2  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  2  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19  8  1  0  0  0  0
  5  7  2  0  0  0  0
 14 17  1  0  0  0  0
 11  8  1  0  0  0  0
M  END
>  <ID> (BBL000168)
BBL000168

>  <Rotatable_Bonds> (BBL000168)
2

>  <logP> (BBL000168)
3.874

>  <PSA> (BBL000168)
72.28

>  <H_Donors> (BBL000168)
3

>  <H_Acceptors> (BBL000168)
2

>  <Number_of_rings> (BBL000168)
3

>  <NAME> (BBL000168)
4-amino-2-(5-chloro-1,3-benzoxazol-2-yl)-6-methylphenol

>  <Mol_Weight> (BBL000168)
274.71

>  <Mol_Formula> (BBL000168)
C14H11ClN2O2

>  <Smiles> (BBL000168)
Clc1ccc2c(c1)nc(o2)c1cc(N)cc(c1O)C

>  <Alternative_identifier> (BBL000168)
MFCD05843216

$$$$