-ISIS-  08091621332D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.6000    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    1.2500    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2708   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    0.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -0.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    1.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    2.0708    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4250   -0.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250   -1.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -2.0667    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  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  9  2  2  0  0  0  0
 10  2  1  0  0  0  0
 11  6  2  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
  7  5  2  0  0  0  0
M  END
>  <ID> (BBL000973)
BBL000973

>  <Rotatable_Bonds> (BBL000973)
3

>  <logP> (BBL000973)
0.284

>  <PSA> (BBL000973)
97.5

>  <H_Donors> (BBL000973)
1

>  <H_Acceptors> (BBL000973)
4

>  <Number_of_rings> (BBL000973)
1

>  <NAME> (BBL000973)
methyl 5-(chlorosulfonyl)-1H-pyrazole-4-carboxylate

>  <Mol_Weight> (BBL000973)
224.62

>  <Mol_Formula> (BBL000973)
C5H5ClN2O4S

>  <Smiles> (BBL000973)
COC(=O)c1cn[nH]c1S(=O)(=O)Cl

>  <Alternative_identifier> (BBL000973)
MFCD18804100

$$$$