-ISIS-  08091621332D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.2167   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    1.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0250    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    1.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5417    0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2792    0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9708    0.0167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2250    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    1.0542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6917   -1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
  5  3  1  0  0  0  0
  9 13  2  0  0  0  0
M  END
>  <ID> (BBL000574)
BBL000574

>  <Rotatable_Bonds> (BBL000574)
2

>  <logP> (BBL000574)
2.873

>  <PSA> (BBL000574)
80.37

>  <H_Donors> (BBL000574)
1

>  <H_Acceptors> (BBL000574)
0

>  <Number_of_rings> (BBL000574)
2

>  <NAME> (BBL000574)
5-(3-fluorophenyl)-4H-1,2,4-triazole-3-thiol

>  <Mol_Weight> (BBL000574)
195.22

>  <Mol_Formula> (BBL000574)
C8H6FN3S

>  <Smiles> (BBL000574)
Fc1cccc(c1)c1nnc([nH]1)S

>  <Alternative_identifier> (BBL000574)
MFCD11106102

$$$$