-ISIS-  08091621332D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.2958   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.0000    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
    1.2792   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2958    0.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0292   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1625   -1.0000    0.0000 C   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
    2.1542    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333   -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
  6 11  2  0  0  0  0
M  END
>  <ID> (BBL000090)
BBL000090

>  <Rotatable_Bonds> (BBL000090)
1

>  <logP> (BBL000090)
0.472

>  <PSA> (BBL000090)
55.12

>  <H_Donors> (BBL000090)
3

>  <H_Acceptors> (BBL000090)
1

>  <Number_of_rings> (BBL000090)
1

>  <NAME> (BBL000090)
N-(3-aminophenyl)propanamide

>  <Mol_Weight> (BBL000090)
164.21

>  <Mol_Formula> (BBL000090)
C9H12N2O

>  <Smiles> (BBL000090)
CCC(=O)Nc1cccc(c1)N

>  <CAS_Number> (BBL000090)
22987-10-6

>  <Alternative_identifier> (BBL000090)
MFCD00044021

$$$$