-ISIS-  08091621332D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.5167    0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -1.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5167   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3417    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3417   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0667    1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2042   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0667    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2042   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  3  2  0  0  0  0
  8 10  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
  2  4  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <ID> (BBL008344)
BBL008344

>  <Rotatable_Bonds> (BBL008344)
1

>  <logP> (BBL008344)
1.564

>  <PSA> (BBL008344)
32.86

>  <H_Donors> (BBL008344)
1

>  <H_Acceptors> (BBL008344)
1

>  <Number_of_rings> (BBL008344)
2

>  <NAME> (BBL008344)
1H-indole-5-carbaldehyde

>  <Mol_Weight> (BBL008344)
145.16

>  <Mol_Formula> (BBL008344)
C9H7NO

>  <Smiles> (BBL008344)
O=Cc1ccc2c(c1)cc[nH]2

>  <CAS_Number> (BBL008344)
1196-69-6

>  <Alternative_identifier> (BBL008344)
MFCD02093664

$$$$