
 CHEMBL83074

 34 35  0  0  0  0  0  0  0  0999 V2000
    3.2152    0.7690   -3.4088 C   0  0  0  0  0
    4.2573    0.7162   -2.8135 C   0  0  0  0  0
    5.5330    0.6469   -2.0851 C   0  0  0  0  0
    5.9460    1.9374   -1.5143 C   0  0  0  0  0
    6.2812    2.9929   -1.0468 C   0  0  0  0  0
    6.6869    4.2869   -0.4784 C   0  0  0  0  0
    5.5598    5.2077   -0.2784 C   0  0  0  0  0
    4.6377    5.9652   -0.1218 C   0  0  0  0  0
    3.5095    6.8845    0.0596 C   0  0  0  0  0
    3.7196    8.0494   -0.7426 O   0  0  0  0  0
    2.6346    8.9251   -0.5737 N   0  0  0  0  0
    2.8083    9.9923   -1.2846 C   0  0  0  0  0
    1.8068   11.1237   -1.3529 C   0  0  0  0  0
    2.4789   12.0331   -2.3398 N   0  0  0  0  0
    2.4132   11.3844   -3.6858 C   0  0  0  0  0
    3.4041   10.2086   -3.6139 C   0  0  0  0  0
    3.9526   10.3387   -2.1966 C   0  0  0  0  0
    3.9223   11.8452   -1.9936 C   0  0  0  0  0
    2.2901    0.8219   -3.9350 H   0  0  0  0  0
    6.3157    0.2848   -2.7619 H   0  0  0  0  0
    5.4498   -0.0934   -1.2809 H   0  0  0  0  0
    7.4243    4.7567   -1.1397 H   0  0  0  0  0
    7.1909    4.1185    0.4804 H   0  0  0  0  0
    3.4291    7.1824    1.1111 H   0  0  0  0  0
    2.5740    6.4015   -0.2438 H   0  0  0  0  0
    1.7238   11.6075   -0.3749 H   0  0  0  0  0
    0.8230   10.7832   -1.6868 H   0  0  0  0  0
    2.7305   12.1020   -4.4517 H   0  0  0  0  0
    1.3976   11.0625   -3.9415 H   0  0  0  0  0
    4.2003   10.3356   -4.3553 H   0  0  0  0  0
    2.9051    9.2487   -3.7837 H   0  0  0  0  0
    4.8972    9.8393   -1.9894 H   0  0  0  0  0
    4.1374   12.1652   -0.9665 H   0  0  0  0  0
    4.5797   12.3940   -2.6782 H   0  0  0  0  0
  1  2  3  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  3  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7  8  3  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 26  1  0  0  0
 13 27  1  0  0  0
 14 15  1  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 28  1  0  0  0
 15 29  1  0  0  0
 16 17  1  0  0  0
 16 30  1  0  0  0
 16 31  1  0  0  0
 17 18  1  0  0  0
 17 32  1  0  0  0
 18 33  1  0  0  0
 18 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL83074

>  <PubChem CID>
10399393

>  <Formula>
C15H16N2O

>  <Molecular Weight>
240.306000

>  <IUPAC Name>
(Z)-N-nona-2,5,8-triynoxy-1-azabicyclo[2.2.1]heptan-3-imine

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C#CCC#CCC#CCON=C1CN2CCC1C2

>  <Isomeric SMILES>
C#CCC#CCC#CCO/N=C/1\CN2CCC1C2

>  <InChI Std. ID>
InChI=1S/C15H16N2O/c1-2-3-4-5-6-7-8-11-18-16-15-13-17-10-9-14(15)12-17/h1,14H,3,6,9-13H2/b16-15+

>  <InChI Key>
ARTPBFFTEWVQHK-FOCLMDBBSA-N

