-ISIS-  08091621332D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.8667   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4500   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4542   -1.0042    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
  6 11  2  0  0  0  0
M  END
>  <ID> (BBL000222)
BBL000222

>  <Rotatable_Bonds> (BBL000222)
2

>  <logP> (BBL000222)
1.003

>  <PSA> (BBL000222)
55.12

>  <H_Donors> (BBL000222)
3

>  <H_Acceptors> (BBL000222)
1

>  <Number_of_rings> (BBL000222)
1

>  <NAME> (BBL000222)
N-(3-aminophenyl)butanamide

>  <Mol_Weight> (BBL000222)
178.23

>  <Mol_Formula> (BBL000222)
C10H14N2O

>  <Smiles> (BBL000222)
CCCC(=O)Nc1cccc(c1)N

>  <CAS_Number> (BBL000222)
93469-29-5

>  <Alternative_identifier> (BBL000222)
MFCD02063078

$$$$