-ISIS-  08091621332D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.9042    0.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833    0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0167   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7208   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  0  0  0  0
 11 10  1  0  0  0  0
 12  9  2  0  0  0  0
 13 11  2  0  0  0  0
 13 12  1  0  0  0  0
M  END
>  <ID> (BBL000539)
BBL000539

>  <Rotatable_Bonds> (BBL000539)
2

>  <logP> (BBL000539)
1.558

>  <PSA> (BBL000539)
29.43

>  <H_Donors> (BBL000539)
0

>  <H_Acceptors> (BBL000539)
1

>  <Number_of_rings> (BBL000539)
1

>  <NAME> (BBL000539)
(4Z)-4-(phenylimino)pentan-2-one

>  <Mol_Weight> (BBL000539)
175.23

>  <Mol_Formula> (BBL000539)
C11H13NO

>  <Smiles> (BBL000539)
C/C(=N/c1ccccc1)/CC(=O)C

>  <Alternative_identifier> (BBL000539)
MFCD00466279

$$$$