-ISIS-  08091621332D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.2917   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292   -0.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917    0.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542   -0.5042    0.0000 C   0  0  3  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
    3.0250    1.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    1.0042    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
    1.2917    1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0292   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542   -1.5000    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  1  1  0  0  0  0
  6 11  2  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  2  0  0  0  0
 10  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
>  <ID> (BBL000080)
BBL000080

>  <Rotatable_Bonds> (BBL000080)
1

>  <logP> (BBL000080)
0.959

>  <PSA> (BBL000080)
55.12

>  <H_Donors> (BBL000080)
3

>  <H_Acceptors> (BBL000080)
1

>  <Number_of_rings> (BBL000080)
1

>  <NAME> (BBL000080)
N-(4-aminophenyl)-2-methylpropanamide

>  <Mol_Weight> (BBL000080)
178.23

>  <Mol_Formula> (BBL000080)
C10H14N2O

>  <Smiles> (BBL000080)
CC(C(=O)Nc1ccc(cc1)N)C

>  <CAS_Number> (BBL000080)
441053-25-4

>  <Alternative_identifier> (BBL000080)
MFCD02258053

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