
 CHEMBL64000

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.2648    1.3446   -0.6765 C   0  0  0  0  0
    2.5413    1.3187    0.1062 C   0  0  0  0  0
    2.7713    2.0258    1.0768 O   0  0  0  0  0
    3.3949    0.4029   -0.4262 O   0  0  0  0  0
    4.6457    0.2593    0.2756 C   0  0  0  0  0
    5.5059   -0.7987   -0.4624 C   0  0  0  0  0
    6.9241   -0.2128   -0.4200 C   0  0  0  0  0
    7.3143    0.6215   -1.6695 C   0  0  0  0  0
    7.3491    2.1589   -1.4391 C   0  0  0  0  0
    6.3319    2.6724   -0.3793 C   0  0  0  0  0
    5.5733    1.5105    0.3026 C   0  0  0  0  0
    6.7616    0.6899    0.7119 N   0  0  0  0  0
    1.4757    1.5771   -1.7234 H   0  0  0  0  0
    0.6087    2.1222   -0.2748 H   0  0  0  0  0
    0.7586    0.3798   -0.5905 H   0  0  0  0  0
    4.4205   -0.0860    1.2955 H   0  0  0  0  0
    5.1560   -0.9948   -1.4814 H   0  0  0  0  0
    5.4589   -1.7432    0.0936 H   0  0  0  0  0
    7.6657   -0.9950   -0.2307 H   0  0  0  0  0
    8.3099    0.3120   -2.0110 H   0  0  0  0  0
    6.6281    0.4058   -2.4975 H   0  0  0  0  0
    8.3577    2.4374   -1.1063 H   0  0  0  0  0
    7.1922    2.6780   -2.3918 H   0  0  0  0  0
    6.8642    3.2654    0.3784 H   0  0  0  0  0
    5.6383    3.3981   -0.8331 H   0  0  0  0  0
    5.1969    1.5124   -0.7444 H   0  0  0  0  0
    7.5980    1.2493    0.8713 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  5 11  1  0  0  0
  5  6  1  0  0  0
  5 16  1  0  0  0
  6  7  1  0  0  0
  6 17  1  0  0  0
  6 18  1  0  0  0
  7  8  1  0  0  0
  7 12  1  0  0  0
  7 19  1  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  8 21  1  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL64000

>  <PubChem CID>
9815331

>  <Formula>
C9H15NO2

>  <Molecular Weight>
169.224000

>  <IUPAC Name>
8-azabicyclo[3.2.1]octan-6-yl acetate

>  <XlogP>
0.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)OC1CC2CCCC1N2

>  <Isomeric SMILES>
CC(=O)OC1CC2CCCC1N2

>  <InChI Std. ID>
InChI=1S/C9H15NO2/c1-6(11)12-9-5-7-3-2-4-8(9)10-7/h7-10H,2-5H2,1H3

>  <InChI Key>
HHXDJDWQQPSWHW-UHFFFAOYSA-N

