-ISIS-  08091621332D

  8  7  0  0  0  0  0  0  0  0999 V2000
    1.3000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    1.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3042   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667   -0.5000    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  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
M  END
>  <ID> (BBL018147)
BBL018147

>  <Rotatable_Bonds> (BBL018147)
4

>  <logP> (BBL018147)
-0.594

>  <PSA> (BBL018147)
67.84

>  <H_Donors> (BBL018147)
3

>  <H_Acceptors> (BBL018147)
2

>  <Number_of_rings> (BBL018147)
0

>  <NAME> (BBL018147)
Historical

>  <Mol_Weight> (BBL018147)
118.14

>  <Mol_Formula> (BBL018147)
C4H10N2O2

>  <Smiles> (BBL018147)
COCC/C(=N/O)/N

>  <CAS_Number> (BBL018147)
77072-12-9

>  <Alternative_identifier> (BBL018147)
MFCD09804778

$$$$