-ISIS-  08091621332D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.5208    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083   -0.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0083    1.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0042   -0.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    1.2958    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  2  1  0  0  0  0
  5  9  2  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10  7  2  0  0  0  0
 11  1  1  0  0  0  0
 12 11  1  0  0  0  0
 10  5  1  0  0  0  0
M  END
>  <ID> (BBL000214)
BBL000214

>  <Rotatable_Bonds> (BBL000214)
1

>  <logP> (BBL000214)
0.612

>  <PSA> (BBL000214)
55.12

>  <H_Donors> (BBL000214)
3

>  <H_Acceptors> (BBL000214)
1

>  <Number_of_rings> (BBL000214)
1

>  <NAME> (BBL000214)
N-(4-aminophenyl)propanamide

>  <Mol_Weight> (BBL000214)
164.21

>  <Mol_Formula> (BBL000214)
C9H12N2O

>  <Smiles> (BBL000214)
CCC(=O)Nc1ccc(cc1)N

>  <CAS_Number> (BBL000214)
59690-89-0

>  <Alternative_identifier> (BBL000214)
MFCD02063079

$$$$