
 CHEMBL113067

 36 37  0  0  0  0  0  0  0  0999 V2000
    5.1787    4.4317   -2.7352 C   0  0  0  0  0
    5.8743    3.8518   -1.5332 C   0  0  0  0  0
    6.8653    3.1361   -1.6309 O   0  0  0  0  0
    5.3122    4.2178   -0.3345 N   0  0  0  0  0
    5.8884    3.8339    0.9419 C   0  0  0  0  0
    7.0613    4.7336    1.4053 C   0  0  0  0  0
    7.6753    4.1927    2.7101 C   0  0  0  0  0
    6.7517    4.4240    3.9029 C   0  0  0  0  0
    6.4817    5.9116    4.1151 C   0  0  0  0  0
    6.2877    6.7009    2.8434 C   0  0  0  0  0
    6.6238    6.1799    1.5827 C   0  0  0  0  0
    6.5431    7.0164    0.4549 C   0  0  0  0  0
    6.1199    8.3417    0.5594 C   0  0  0  0  0
    5.7507    8.8417    1.8040 C   0  0  0  0  0
    5.8453    8.0299    2.9384 C   0  0  0  0  0
    6.0857    9.0325   -0.6204 O   0  0  0  0  0
    6.1297   10.4505   -0.5110 C   0  0  0  0  0
    5.0846    3.6595   -3.5035 H   0  0  0  0  0
    5.7660    5.2688   -3.1210 H   0  0  0  0  0
    4.1744    4.7858   -2.4851 H   0  0  0  0  0
    4.6242    4.9607   -0.3254 H   0  0  0  0  0
    6.2328    2.7961    0.8598 H   0  0  0  0  0
    5.0615    3.8563    1.6589 H   0  0  0  0  0
    7.8504    4.7051    0.6415 H   0  0  0  0  0
    7.8947    3.1232    2.6114 H   0  0  0  0  0
    8.6340    4.6939    2.8994 H   0  0  0  0  0
    7.1983    4.0023    4.8110 H   0  0  0  0  0
    5.8039    3.8941    3.7554 H   0  0  0  0  0
    7.3361    6.3490    4.6476 H   0  0  0  0  0
    5.6022    6.0238    4.7606 H   0  0  0  0  0
    6.8315    6.6362   -0.5234 H   0  0  0  0  0
    5.3908    9.8575    1.9265 H   0  0  0  0  0
    5.5818    8.4475    3.9084 H   0  0  0  0  0
    6.2885   10.8571   -1.5146 H   0  0  0  0  0
    6.9658   10.7774    0.1170 H   0  0  0  0  0
    5.1790   10.8441   -0.1385 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  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 11  1  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 32  1  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL113067

>  <PubChem CID>
44340821

>  <Formula>
C14H19NO2

>  <Molecular Weight>
233.311000

>  <IUPAC Name>
N-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]acetamide

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)NCC1CCCC2=C1C=C(C=C2)OC

>  <Isomeric SMILES>
CC(=O)NCC1CCCC2=C1C=C(C=C2)OC

>  <InChI Std. ID>
InChI=1S/C14H19NO2/c1-10(16)15-9-12-5-3-4-11-6-7-13(17-2)8-14(11)12/h6-8,12H,3-5,9H2,1-2H3,(H,15,16)

>  <InChI Key>
MHORJSLPVZDMOR-UHFFFAOYSA-N

