
 CHEMBL85190

 37 39  0  0  0  0  0  0  0  0999 V2000
    0.0133    1.2785   -0.8583 C   0  0  0  0  0
    1.3602    1.4181   -1.4073 N   0  0  0  0  0
    2.3658    0.6489   -0.6494 C   0  0  0  0  0
    3.5870    0.5023   -1.5797 C   0  0  0  0  0
    4.1576    1.8536   -2.0273 C   0  0  0  0  0
    3.0563    2.8833   -2.3094 C   0  0  0  0  0
    1.8861    2.7968   -1.3062 C   0  0  0  0  0
    2.3182    2.9396    0.1695 C   0  0  0  0  0
    2.6901    1.5080    0.5815 C   0  0  0  0  0
    3.4197    3.8407    0.3223 O   0  0  0  0  0
    3.6484    4.2716    1.5876 C   0  0  0  0  0
    2.9906    3.9828    2.5742 O   0  0  0  0  0
    4.8214    5.1854    1.6152 C   0  0  0  0  0
    5.7234    5.2775    0.5463 C   0  0  0  0  0
    6.8144    6.1463    0.6243 C   0  0  0  0  0
    7.0079    6.9249    1.7649 C   0  0  0  0  0
    6.1158    6.8350    2.8328 C   0  0  0  0  0
    5.0264    5.9644    2.7611 C   0  0  0  0  0
   -0.3231    0.2404   -0.9553 H   0  0  0  0  0
   -0.6907    1.8917   -1.4312 H   0  0  0  0  0
   -0.0696    1.5619    0.1956 H   0  0  0  0  0
    2.0128   -0.3504   -0.3701 H   0  0  0  0  0
    3.2931   -0.0710   -2.4690 H   0  0  0  0  0
    4.3736   -0.0762   -1.0810 H   0  0  0  0  0
    4.8194    2.2375   -1.2422 H   0  0  0  0  0
    4.7878    1.7227   -2.9142 H   0  0  0  0  0
    3.4871    3.8914   -2.3110 H   0  0  0  0  0
    2.6674    2.7137   -3.3225 H   0  0  0  0  0
    1.1395    3.5516   -1.5799 H   0  0  0  0  0
    1.4604    3.2924    0.7579 H   0  0  0  0  0
    3.7325    1.4080    0.9012 H   0  0  0  0  0
    2.0546    1.2038    1.4220 H   0  0  0  0  0
    5.5934    4.6754   -0.3494 H   0  0  0  0  0
    7.5146    6.2145   -0.2051 H   0  0  0  0  0
    7.8570    7.6018    1.8227 H   0  0  0  0  0
    6.2681    7.4416    3.7223 H   0  0  0  0  0
    4.3368    5.8985    3.6004 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  9  1  0  0  0
  3  4  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 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  8 30  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL85190

>  <PubChem CID>
10421982

>  <Formula>
C15H19NO2

>  <Molecular Weight>
245.322000

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

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1C2CCCC1C(C2)OC(=O)C3=CC=CC=C3

>  <Isomeric SMILES>
CN1C2CCCC1C(C2)OC(=O)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C15H19NO2/c1-16-12-8-5-9-13(16)14(10-12)18-15(17)11-6-3-2-4-7-11/h2-4,6-7,12-14H,5,8-10H2,1H3

>  <InChI Key>
ARWACDLWRNGONO-UHFFFAOYSA-N

