
 CHEMBL84113

 34 36  0  0  0  0  0  0  0  0999 V2000
   -1.7922    0.9187   -0.4952 C   0  0  0  0  0
   -1.7447   -0.6060   -0.6403 C   0  0  0  0  0
   -0.6485   -1.2707    0.2050 C   0  0  0  0  0
    0.7048   -1.3015   -0.5182 C   0  0  0  0  0
    1.4651   -0.0911    0.0228 C   0  0  0  0  0
    0.4009    0.6624    0.8405 C   0  0  0  0  0
   -0.4733    1.5612   -0.0539 C   0  0  0  0  0
   -0.4131   -0.4431    1.3992 N   0  0  0  0  0
    2.5142   -0.5942    0.8776 O   0  0  0  0  0
    3.4144    0.3281    1.2984 C   0  0  0  0  0
    3.4098    1.5155    1.0146 O   0  0  0  0  0
    4.3939   -0.3023    2.2200 C   0  0  0  0  0
    5.1303    0.5270    3.0753 C   0  0  0  0  0
    6.0504   -0.0265    3.9676 C   0  0  0  0  0
    6.2450   -1.4073    4.0021 C   0  0  0  0  0
    5.5231   -2.2376    3.1450 C   0  0  0  0  0
    4.5978   -1.6888    2.2546 C   0  0  0  0  0
   -2.1512    1.3796   -1.4226 H   0  0  0  0  0
   -2.5499    1.1585    0.2637 H   0  0  0  0  0
   -1.6270   -0.8737   -1.6970 H   0  0  0  0  0
   -2.7228   -1.0013   -0.3362 H   0  0  0  0  0
   -0.9609   -2.2854    0.4744 H   0  0  0  0  0
    1.2371   -2.2338   -0.2951 H   0  0  0  0  0
    0.5847   -1.2339   -1.6046 H   0  0  0  0  0
    1.9065    0.4941   -0.7924 H   0  0  0  0  0
    0.8401    1.2508    1.6520 H   0  0  0  0  0
   -0.7169    2.4812    0.4929 H   0  0  0  0  0
    0.0893    1.8781   -0.9404 H   0  0  0  0  0
    0.1799   -0.9680    2.0465 H   0  0  0  0  0
    4.9837    1.6053    3.0548 H   0  0  0  0  0
    6.6144    0.6195    4.6362 H   0  0  0  0  0
    6.9621   -1.8368    4.6977 H   0  0  0  0  0
    5.6807   -3.3133    3.1707 H   0  0  0  0  0
    4.0469   -2.3507    1.5912 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  6 26  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 14 15  2  0  0  0
 14 31  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 16 17  2  0  0  0
 16 33  1  0  0  0
 17 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL84113

>  <PubChem CID>
10105296

>  <Formula>
C14H17NO2

>  <Molecular Weight>
231.295000

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

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC2CC(C(C1)N2)OC(=O)C3=CC=CC=C3

>  <Isomeric SMILES>
C1CC2CC(C(C1)N2)OC(=O)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C14H17NO2/c16-14(10-5-2-1-3-6-10)17-13-9-11-7-4-8-12(13)15-11/h1-3,5-6,11-13,15H,4,7-9H2

>  <InChI Key>
AKLGENRCHBXEKW-UHFFFAOYSA-N

