-ISIS-  08091621332D

 16 18  0  0  0  0  0  0  0  0999 V2000
    1.4583    0.5792    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.9542   -0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792    0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9458   -0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1458    1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333    0.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2708   -0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542    2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -0.0583    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125   -1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458   -2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4208   -1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
  6  8  1  0  0  0  0
  4  5  1  0  0  0  0
 16 11  2  0  0  0  0
M  END
>  <ID> (BBL000550)
BBL000550

>  <Rotatable_Bonds> (BBL000550)
1

>  <logP> (BBL000550)
2.965

>  <PSA> (BBL000550)
71.32

>  <H_Donors> (BBL000550)
0

>  <H_Acceptors> (BBL000550)
0

>  <Number_of_rings> (BBL000550)
3

>  <NAME> (BBL000550)
6-(3-fluorophenyl)-3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

>  <Mol_Weight> (BBL000550)
234.26

>  <Mol_Formula> (BBL000550)
C10H7FN4S

>  <Smiles> (BBL000550)
Fc1cccc(c1)c1nn2c(s1)nnc2C

>  <Alternative_identifier> (BBL000550)
MFCD06608112

$$$$