-ISIS-  08091621332D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.4250    0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250    1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2917    0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292    1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    0.2292    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1750   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750   -1.2542    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2917    1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000    1.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0333   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0375   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3042   -1.7500    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  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
>  <ID> (BBL000546)
BBL000546

>  <Rotatable_Bonds> (BBL000546)
3

>  <logP> (BBL000546)
0.161

>  <PSA> (BBL000546)
39.6

>  <H_Donors> (BBL000546)
1

>  <H_Acceptors> (BBL000546)
1

>  <Number_of_rings> (BBL000546)
1

>  <NAME> (BBL000546)
2,6-bis[(dimethylamino)methyl]pyridin-3-ol

>  <Mol_Weight> (BBL000546)
209.29

>  <Mol_Formula> (BBL000546)
C11H19N3O

>  <Smiles> (BBL000546)
CN(Cc1ccc(c(n1)CN(C)C)O)C

>  <CAS_Number> (BBL000546)
2168-17-4

>  <Alternative_identifier> (BBL000546)
MFCD00030824

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