-ISIS-  08091621332D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2917   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625   -2.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4417    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3042    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4417    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3042    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1667    2.0083    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  3  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 12 10  2  0  0  0  0
M  END
>  <ID> (BBL000536)
BBL000536

>  <Rotatable_Bonds> (BBL000536)
2

>  <logP> (BBL000536)
1.123

>  <PSA> (BBL000536)
29.1

>  <H_Donors> (BBL000536)
1

>  <H_Acceptors> (BBL000536)
1

>  <Number_of_rings> (BBL000536)
1

>  <NAME> (BBL000536)
N-(2-phenylethyl)acetamide

>  <Mol_Weight> (BBL000536)
163.22

>  <Mol_Formula> (BBL000536)
C10H13NO

>  <Smiles> (BBL000536)
CC(=O)NCCc1ccccc1

>  <CAS_Number> (BBL000536)
877-95-2

>  <Alternative_identifier> (BBL000536)
MFCD00026177

$$$$