-ISIS-  08091621332D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -0.4292   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292    0.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8958   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8 10  2  0  0  0  0
  9  1  1  0  0  0  0
 10  3  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 11  6  2  0  0  0  0
M  END
>  <ID> (BBL000238)
BBL000238

>  <Rotatable_Bonds> (BBL000238)
3

>  <logP> (BBL000238)
1.535

>  <PSA> (BBL000238)
55.12

>  <H_Donors> (BBL000238)
3

>  <H_Acceptors> (BBL000238)
1

>  <Number_of_rings> (BBL000238)
1

>  <NAME> (BBL000238)
N-(3-aminophenyl)pentanamide

>  <Mol_Weight> (BBL000238)
192.26

>  <Mol_Formula> (BBL000238)
C11H16N2O

>  <Smiles> (BBL000238)
CCCCC(=O)Nc1cccc(c1)N

>  <Alternative_identifier> (BBL000238)
MFCD03256019

$$$$