-ISIS-  08091621332D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.7458   -1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.9958    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.8792    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875   -0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1417   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5208   -0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -1.9958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  8  1  0  0  0  0
  4 12  2  0  0  0  0
  5 10  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13  2  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
>  <ID> (BBL000147)
BBL000147

>  <SALTDATA> (BBL000147)
HCl

>  <Rotatable_Bonds> (BBL000147)
5

>  <logP> (BBL000147)
-0.384

>  <PSA> (BBL000147)
45.15

>  <H_Donors> (BBL000147)
2

>  <H_Acceptors> (BBL000147)
1

>  <Number_of_rings> (BBL000147)
1

>  <NAME> (BBL000147)
3-[(pyridin-4-ylmethyl)amino]propan-1-ol

>  <Mol_Weight> (BBL000147)
166.22

>  <Mol_Formula> (BBL000147)
C9H14N2O

>  <Smiles> (BBL000147)
OCCCNCc1ccncc1

>  <CAS_Number> (BBL000147)
7251-62-9

>  <Alternative_identifier> (BBL000147)
MFCD00023633

$$$$