-ISIS-  08091621332D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.7958    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2583    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.7458    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2375   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3917    0.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -0.7458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3917    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -1.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -1.6083    0.0000 H   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  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7 10  1  0  0  0  0
  8  2  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
 12 14  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17  7  1  0  0  0  0
  5  4  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <ID> (BBL000130)
BBL000130

>  <Rotatable_Bonds> (BBL000130)
6

>  <logP> (BBL000130)
1.86

>  <PSA> (BBL000130)
50.72

>  <H_Donors> (BBL000130)
2

>  <H_Acceptors> (BBL000130)
3

>  <Number_of_rings> (BBL000130)
2

>  <NAME> (BBL000130)
2-[(1,3-benzodioxol-5-ylmethyl)amino]butan-1-ol

>  <Mol_Weight> (BBL000130)
223.27

>  <Mol_Formula> (BBL000130)
C12H17NO3

>  <Smiles> (BBL000130)
CCC(NCc1ccc2c(c1)OCO2)CO

>  <Alternative_identifier> (BBL000130)
MFCD06006448

$$$$