
 CHEMBL423746

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.3093    1.4844   -0.5971 C   0  0  0  0  0
   -1.1539    1.0192   -0.6968 C   0  0  0  0  0
   -1.3308   -0.3416   -0.1400 N   0  0  0  0  0
   -0.5484   -1.2920   -0.9564 C   0  0  0  0  0
    0.9186   -0.8548   -1.0826 C   0  0  0  0  0
    1.1890    0.3143   -0.1078 C   0  0  0  0  0
    0.7434   -0.1040    1.3304 C   0  0  0  0  0
   -0.8118   -0.3361    1.2578 C   0  0  0  0  0
    1.1308    0.8291    2.4671 C   0  0  0  0  0
    0.6249    0.6117    3.7524 C   0  0  0  0  0
    0.8927    1.3779    4.8369 N   0  0  0  0  0
    1.7417    2.4066    4.6525 C   0  0  0  0  0
    2.3317    2.7003    3.4371 C   0  0  0  0  0
    2.0255    1.8982    2.3380 C   0  0  0  0  0
    1.4140   -1.3354    1.6549 O   0  0  0  0  0
    0.3815    2.3434    0.0777 H   0  0  0  0  0
    0.6537    1.8248   -1.5812 H   0  0  0  0  0
   -1.4862    1.0383   -1.7424 H   0  0  0  0  0
   -1.8063    1.7255   -0.1686 H   0  0  0  0  0
   -0.9961   -1.3822   -1.9539 H   0  0  0  0  0
   -0.6099   -2.2949   -0.5158 H   0  0  0  0  0
    1.5861   -1.7000   -0.8810 H   0  0  0  0  0
    1.1241   -0.5326   -2.1112 H   0  0  0  0  0
    2.2538    0.5653   -0.1540 H   0  0  0  0  0
   -1.0808   -1.2878    1.7339 H   0  0  0  0  0
   -1.3591    0.4410    1.8074 H   0  0  0  0  0
   -0.0345   -0.2277    3.9615 H   0  0  0  0  0
    1.9490    3.0026    5.5363 H   0  0  0  0  0
    3.0210    3.5322    3.3458 H   0  0  0  0  0
    2.5060    2.1262    1.3919 H   0  0  0  0  0
    0.9204   -2.0698    1.2552 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  8  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
  7 15  1  0  0  0
  7  9  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 27  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 13 14  2  0  0  0
 13 29  1  0  0  0
 14 30  1  0  0  0
 15 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL423746

>  <PubChem CID>
15196232

>  <Formula>
C12H16N2O

>  <Molecular Weight>
204.273000

>  <IUPAC Name>
3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol

>  <XlogP>
0.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN2CCC1C(C2)(C3=CN=CC=C3)O

>  <Isomeric SMILES>
C1CN2CCC1C(C2)(C3=CN=CC=C3)O

>  <InChI Std. ID>
InChI=1S/C12H16N2O/c15-12(11-2-1-5-13-8-11)9-14-6-3-10(12)4-7-14/h1-2,5,8,10,15H,3-4,6-7,9H2

>  <InChI Key>
APILBXBLRXLWNS-UHFFFAOYSA-N

