-ISIS-  08091621332D

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.8625   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
>  <ID> (BBL018146)
BBL018146

>  <Rotatable_Bonds> (BBL018146)
3

>  <logP> (BBL018146)
-0.762

>  <PSA> (BBL018146)
67.84

>  <H_Donors> (BBL018146)
3

>  <H_Acceptors> (BBL018146)
2

>  <Number_of_rings> (BBL018146)
0

>  <NAME> (BBL018146)
Historical

>  <Mol_Weight> (BBL018146)
104.11

>  <Mol_Formula> (BBL018146)
C3H8N2O2

>  <Smiles> (BBL018146)
COC/C(=N/O)/N

>  <CAS_Number> (BBL018146)
95298-88-7

>  <Alternative_identifier> (BBL018146)
MFCD09842209

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