-ISIS-  08091621332D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    0.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    2.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    2.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -2.5125    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  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12  9  2  0  0  0  0
 13 11  2  0  0  0  0
 13 12  1  0  0  0  0
M  END
>  <ID> (BBL000833)
BBL000833

>  <Rotatable_Bonds> (BBL000833)
4

>  <logP> (BBL000833)
1.173

>  <PSA> (BBL000833)
69.89

>  <H_Donors> (BBL000833)
2

>  <H_Acceptors> (BBL000833)
3

>  <Number_of_rings> (BBL000833)
1

>  <NAME> (BBL000833)
(2Z)-2-(hydroxyimino)-3-phenylpropanoic acid

>  <Mol_Weight> (BBL000833)
179.18

>  <Mol_Formula> (BBL000833)
C9H9NO3

>  <Smiles> (BBL000833)
O/N=C(\C(=O)O)/Cc1ccccc1

>  <Alternative_identifier> (BBL000833)
MFCD03939241

$$$$