-ISIS-  08091621332D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0375    0.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625   -0.2708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6292    1.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  2  0  0  0  0
 11  6  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
  7  8  1  0  0  0  0
 13 11  1  0  0  0  0
M  END
>  <ID> (BBL011254)
BBL011254

>  <SALTDATA> (BBL011254)
HCl

>  <Rotatable_Bonds> (BBL011254)
0

>  <logP> (BBL011254)
0.506

>  <PSA> (BBL011254)
55.12

>  <H_Donors> (BBL011254)
3

>  <H_Acceptors> (BBL011254)
1

>  <Number_of_rings> (BBL011254)
2

>  <NAME> (BBL011254)
3-amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

>  <Mol_Weight> (BBL011254)
176.22

>  <Mol_Formula> (BBL011254)
C10H12N2O

>  <Smiles> (BBL011254)
O=C1Nc2ccccc2CCC1N

>  <CAS_Number> (BBL011254)
86499-35-6

>  <Alternative_identifier> (BBL011254)
MFCD02258897

$$$$