-ISIS-  08091621332D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.5083   -2.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9625    2.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750    0.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875    0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1792   -0.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1792   -1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6 11  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14 15  2  0  0  0  0
 15 13  1  0  0  0  0
  4  3  1  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <ID> (BBL000073)
BBL000073

>  <Rotatable_Bonds> (BBL000073)
5

>  <logP> (BBL000073)
2.343

>  <PSA> (BBL000073)
53.09

>  <H_Donors> (BBL000073)
2

>  <H_Acceptors> (BBL000073)
2

>  <Number_of_rings> (BBL000073)
2

>  <NAME> (BBL000073)
4-(1H-indol-3-yl)butanoic acid

>  <Mol_Weight> (BBL000073)
203.24

>  <Mol_Formula> (BBL000073)
C12H13NO2

>  <Smiles> (BBL000073)
OC(=O)CCCc1c[nH]c2c1cccc2

>  <CAS_Number> (BBL000073)
144505-90

>  <Alternative_identifier> (BBL000073)
MFCD00005664

$$$$