
 CHEMBL67700

 37 39  0  0  0  0  0  0  0  0999 V2000
    0.8453    0.9044   -1.0560 C   0  0  0  0  0
    2.2690    1.3621   -0.9671 C   0  0  0  0  0
    2.7319    2.3074   -1.5879 O   0  0  0  0  0
    2.9549    0.5710   -0.0985 O   0  0  0  0  0
    4.3372    0.8952    0.0637 C   0  0  0  0  0
    5.2115    0.5154   -1.1480 C   0  0  0  0  0
    6.2489   -0.4400   -0.5258 C   0  0  0  0  0
    6.4492    0.1605    0.8618 C   0  0  0  0  0
    4.9677    0.0609    1.1976 C   0  0  0  0  0
    4.7283   -1.4351    0.9616 C   0  0  0  0  0
    5.5151   -1.6981   -0.2669 N   0  0  0  0  0
    6.4012   -2.8606   -0.1402 C   0  0  0  0  0
    5.6386   -4.1616    0.0062 C   0  0  0  0  0
    5.8432   -4.9889    1.1195 C   0  0  0  0  0
    5.1339   -6.1839    1.2538 C   0  0  0  0  0
    4.2167   -6.5661    0.2762 C   0  0  0  0  0
    4.0090   -5.7557   -0.8382 C   0  0  0  0  0
    4.7173   -4.5612   -0.9739 C   0  0  0  0  0
    0.3869    0.9246   -0.0639 H   0  0  0  0  0
    0.8049   -0.1025   -1.4784 H   0  0  0  0  0
    0.2867    1.5824   -1.7081 H   0  0  0  0  0
    4.4422    1.9634    0.2972 H   0  0  0  0  0
    5.7156    1.4090   -1.5349 H   0  0  0  0  0
    4.6500    0.0562   -1.9687 H   0  0  0  0  0
    7.1476   -0.5478   -1.1387 H   0  0  0  0  0
    6.8203    1.1907    0.8408 H   0  0  0  0  0
    7.0858   -0.4428    1.5174 H   0  0  0  0  0
    4.6806    0.3909    2.1982 H   0  0  0  0  0
    5.1003   -1.9986    1.8265 H   0  0  0  0  0
    3.6736   -1.6857    0.8145 H   0  0  0  0  0
    7.1029   -2.7342    0.6942 H   0  0  0  0  0
    7.0144   -2.9534   -1.0464 H   0  0  0  0  0
    6.5520   -4.7041    1.8935 H   0  0  0  0  0
    5.2948   -6.8158    2.1232 H   0  0  0  0  0
    3.6625   -7.4944    0.3834 H   0  0  0  0  0
    3.2923   -6.0497   -1.6002 H   0  0  0  0  0
    4.5419   -3.9277   -1.8412 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  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  6 24  1  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 12 32  1  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>
CHEMBL67700

>  <PubChem CID>
44309790

>  <Formula>
C15H19NO2

>  <Molecular Weight>
245.322000

>  <IUPAC Name>
(2-benzyl-2-azabicyclo[2.2.1]heptan-5-yl) acetate

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)OC1CC2CC1CN2CC3=CC=CC=C3

>  <Isomeric SMILES>
CC(=O)OC1CC2CC1CN2CC3=CC=CC=C3

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

>  <InChI Key>
CEYKSYHOKKXLMF-UHFFFAOYSA-N

