
 CHEMBL239865

 40 41  0  0  0  0  0  0  0  0999 V2000
   -1.9796    0.5781    0.5839 C   0  0  0  0  0
   -1.9825   -0.9004    0.1685 C   0  0  0  0  0
   -0.6787   -1.6250    0.6329 C   0  0  0  0  0
    0.3749   -1.6049   -0.4972 C   0  0  0  0  0
    1.2428   -0.3972   -0.1892 C   0  0  0  0  0
    0.5250    0.2838    0.9738 C   0  0  0  0  0
   -0.5995    1.2245    0.4274 C   0  0  0  0  0
   -0.0878   -0.8391    1.7405 N   0  0  0  0  0
    0.8577   -1.6219    2.5613 C   0  0  0  0  0
    1.3883   -0.7783    3.6350 C   0  0  0  0  0
    1.8437   -0.0431    4.4723 C   0  0  0  0  0
    2.3534    0.8848    5.4856 C   0  0  0  0  0
    2.3927    2.2300    4.9457 N   0  0  0  0  0
    3.1516    2.6052    3.9132 C   0  0  0  0  0
    3.9403    1.8640    3.3453 O   0  0  0  0  0
    2.9772    4.0163    3.6159 C   0  0  0  0  0
    1.7116    4.2287    4.4744 C   0  0  0  0  0
    1.6733    3.2285    5.4877 O   0  0  0  0  0
    0.7027    1.8217   -3.5367 Cl  0  0  0  0  0
   -2.7974    1.1625    0.1118 H   0  0  0  0  0
   -2.1808    0.5853    1.6805 H   0  0  0  0  0
   -2.1426   -1.0362   -0.9221 H   0  0  0  0  0
   -2.8668   -1.3469    0.6744 H   0  0  0  0  0
   -0.9471   -2.6785    0.8714 H   0  0  0  0  0
    1.0296   -2.5022   -0.4266 H   0  0  0  0  0
   -0.0725   -1.6047   -1.5138 H   0  0  0  0  0
    2.2063   -0.7772    0.2159 H   0  0  0  0  0
    1.5150    0.2408   -1.0556 H   0  0  0  0  0
    1.2517    0.9093    1.5390 H   0  0  0  0  0
   -0.6316    2.1621    1.0251 H   0  0  0  0  0
   -0.3964    1.5214   -0.6237 H   0  0  0  0  0
    1.6978   -2.0381    1.9696 H   0  0  0  0  0
    0.3206   -2.4725    3.0320 H   0  0  0  0  0
    3.3686    0.5723    5.8098 H   0  0  0  0  0
    1.6737    0.8532    6.3632 H   0  0  0  0  0
    3.8696    4.5444    4.0143 H   0  0  0  0  0
    2.7804    4.2698    2.5521 H   0  0  0  0  0
    1.6626    5.2611    4.8794 H   0  0  0  0  0
    0.8155    4.0559    3.8351 H   0  0  0  0  0
    1.3523    2.4176   -2.4802 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
  9 33  1  0  0  0
 10 11  3  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 12 35  1  0  0  0
 13 18  1  0  0  0
 13 14  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 19 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL239865

>  <PubChem CID>
49797324

>  <Formula>
C14H21ClN2O2

>  <Molecular Weight>
284.784000

>  <IUPAC Name>
2-[4-(8-azabicyclo[3.2.1]octan-8-yl)but-2-ynyl]-1,2-oxazolidin-3-one;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC2CCC(C1)N2CC#CCN3C(=O)CCO3.Cl

>  <Isomeric SMILES>
C1CC2CCC(C1)N2CC#CCN3C(=O)CCO3.Cl

>  <InChI Std. ID>
InChI=1S/C14H20N2O2.ClH/c17-14-8-11-18-16(14)10-2-1-9-15-12-4-3-5-13(15)7-6-12;/h12-13H,3-11H2;1H

>  <InChI Key>
AXPSYOWPCJWXDG-UHFFFAOYSA-N

