-ISIS-  08091621332D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.2417    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5583    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7042    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8583    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5583    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6083   -0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8083    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    1.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -1.7667    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5708   -0.4167    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  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9 11  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  2  0  0  0  0
 12  5  1  0  0  0  0
 13 12  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
  5  7  2  0  0  0  0
  9  8  2  0  0  0  0
M  END
>  <ID> (BBL000143)
BBL000143

>  <Rotatable_Bonds> (BBL000143)
2

>  <logP> (BBL000143)
3.546

>  <PSA> (BBL000143)
30.21

>  <H_Donors> (BBL000143)
0

>  <H_Acceptors> (BBL000143)
2

>  <Number_of_rings> (BBL000143)
2

>  <NAME> (BBL000143)
5-(3-chloro-4-methylphenyl)furan-2-carbaldehyde

>  <Mol_Weight> (BBL000143)
220.65

>  <Mol_Formula> (BBL000143)
C12H9ClO2

>  <Smiles> (BBL000143)
O=Cc1ccc(o1)c1ccc(c(c1)Cl)C

>  <CAS_Number> (BBL000143)
57666-53-2

>  <Alternative_identifier> (BBL000143)
MFCD00579049

$$$$