
 CHEMBL61729

 34 34  0  0  0  0  0  0  0  0999 V2000
    0.8652   -0.0374   -0.0013 C   0  0  0  0  0
    2.3838   -0.0062    0.0435 C   0  0  0  0  0
    2.9197    1.4241   -0.0187 C   0  0  0  0  0
    4.4482    1.4414    0.0218 C   0  0  0  0  0
    4.9987    2.8664   -0.0570 C   0  0  0  0  0
    6.5273    2.8649   -0.0032 C   0  0  0  0  0
    7.0988    4.2764   -0.1448 C   0  0  0  0  0
    8.5974    4.2574   -0.0250 C   0  0  0  0  0
    9.4303    4.5090   -1.0461 C   0  0  0  0  0
   10.8315    4.4627   -0.8740 C   0  0  0  0  0
   11.7114    4.2261    0.1645 C   0  0  0  0  0
   13.0151    4.3079   -0.2571 N   0  0  0  0  0
   12.9437    4.5898   -1.5365 C   0  0  0  0  0
   11.6475    4.6936   -1.9551 N   0  0  0  0  0
    0.5064   -1.0704    0.0463 H   0  0  0  0  0
    0.4908    0.4098   -0.9275 H   0  0  0  0  0
    0.4364    0.5105    0.8438 H   0  0  0  0  0
    2.7799   -0.5885   -0.7971 H   0  0  0  0  0
    2.7270   -0.4926    0.9641 H   0  0  0  0  0
    2.5229    2.0032    0.8243 H   0  0  0  0  0
    2.5697    1.9090   -0.9378 H   0  0  0  0  0
    4.8427    0.8517   -0.8148 H   0  0  0  0  0
    4.7962    0.9636    0.9456 H   0  0  0  0  0
    4.6028    3.4626    0.7746 H   0  0  0  0  0
    4.6607    3.3409   -0.9860 H   0  0  0  0  0
    6.9208    2.2293   -0.8070 H   0  0  0  0  0
    6.8570    2.4213    0.9448 H   0  0  0  0  0
    6.6946    4.9278    0.6393 H   0  0  0  0  0
    6.7897    4.7067   -1.1048 H   0  0  0  0  0
    8.9842    4.0204    0.9637 H   0  0  0  0  0
    9.0185    4.7400   -2.0261 H   0  0  0  0  0
   11.4760    3.9998    1.1960 H   0  0  0  0  0
   13.7841    4.7281   -2.2030 H   0  0  0  0  0
   11.3520    4.9008   -2.8982 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  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  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  2  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL61729

>  <PubChem CID>
10262004

>  <Formula>
C12H20N2

>  <Molecular Weight>
192.306000

>  <IUPAC Name>
5-[(Z)-non-1-enyl]-1H-imidazole

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCCCCCC=CC1=CN=CN1

>  <Isomeric SMILES>
CCCCCCC/C=C\C1=CN=CN1

>  <InChI Std. ID>
InChI=1S/C12H20N2/c1-2-3-4-5-6-7-8-9-12-10-13-11-14-12/h8-11H,2-7H2,1H3,(H,13,14)/b9-8-

>  <InChI Key>
AWHAMAABIGBPOP-HJWRWDBZSA-N

