-ISIS-  08251613322D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.5875   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3333    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3333   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -0.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8458   -0.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0292   -0.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3542   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2208   -0.6167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7333    1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042    1.2667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3708   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2250   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2250   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3542   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3542    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 11  1  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  2  0  0  0  0
 17  5  1  0  0  0  0
 18  3  1  0  0  0  0
 19  4  1  0  0  0  0
 20  2  1  0  0  0  0
 21  6  1  0  0  0  0
 22 23  2  0  0  0  0
 23 16  1  0  0  0  0
 24 15  2  0  0  0  0
 25 16  1  0  0  0  0
 26 15  1  0  0  0  0
  2  4  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <ID> (STK672121)
STK672121

>  <Rotatable_Bonds> (STK672121)
5

>  <logP> (STK672121)
6.706

>  <PSA> (STK672121)
91.15

>  <H_Donors> (STK672121)
3

>  <H_Acceptors> (STK672121)
4

>  <Number_of_rings> (STK672121)
2

>  <NAME> (STK672121)
N'-[(E)-(3-bromo-4,6-dihydroxy-2,5-dimethylphenyl)methylidene]-2-(2,6-dimethylphenoxy)acetohydrazide

>  <Mol_Weight> (STK672121)
421.29

>  <Mol_Formula> (STK672121)
C19H21BrN2O4

>  <Smiles> (STK672121)
O=C(COc1c(C)cccc1C)N/N=C/c1c(C)c(Br)c(c(c1O)C)O

$$$$