-ISIS-  08091621332D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.0042   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4917   -0.0042    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.4917   -0.0042    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -2.9917   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9917   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4917   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  3  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12 13  1  0  0  0  0
 13 11  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <ID> (BBL000734)
BBL000734

>  <Rotatable_Bonds> (BBL000734)
3

>  <logP> (BBL000734)
-1.231

>  <PSA> (BBL000734)
50.5

>  <H_Donors> (BBL000734)
1

>  <H_Acceptors> (BBL000734)
1

>  <Number_of_rings> (BBL000734)
1

>  <NAME> (BBL000734)
3-[4-(2-hydroxyethyl)piperazin-1-yl]propanenitrile

>  <Mol_Weight> (BBL000734)
183.25

>  <Mol_Formula> (BBL000734)
C9H17N3O

>  <Smiles> (BBL000734)
OCCN1CCN(CC1)CCC#N

$$$$