
 CHEMBL139091

 28 29  0  0  0  0  0  0  0  0999 V2000
    3.6333   -0.0407   -2.1925 C   0  0  0  0  0
    4.1230    0.4086   -0.8424 C   0  0  0  0  0
    4.3225   -0.3840    0.0735 O   0  0  0  0  0
    4.3517    1.7595   -0.7438 N   0  0  0  0  0
    4.7062    2.3455    0.5281 C   0  0  0  0  0
    5.0844    3.7948    0.3774 C   0  0  0  0  0
    4.1341    4.8209    0.4942 C   0  0  0  0  0
    4.5182    6.1605    0.3367 C   0  0  0  0  0
    5.8499    6.4858    0.0889 C   0  0  0  0  0
    6.7991    5.4741   -0.0392 C   0  0  0  0  0
    6.4177    4.1375    0.0947 C   0  0  0  0  0
    3.6428    7.2141    0.4202 O   0  0  0  0  0
    2.2830    6.7787    0.3346 C   0  0  0  0  0
    2.0545    5.5628    1.2138 C   0  0  0  0  0
    2.8337    4.4560    0.7481 O   0  0  0  0  0
    2.7839   -0.7164   -2.0580 H   0  0  0  0  0
    4.4423   -0.5635   -2.7096 H   0  0  0  0  0
    3.3057    0.8026   -2.8068 H   0  0  0  0  0
    3.9668    2.3762   -1.4465 H   0  0  0  0  0
    5.5389    1.7770    0.9609 H   0  0  0  0  0
    3.8620    2.2194    1.2157 H   0  0  0  0  0
    6.1438    7.5262   -0.0180 H   0  0  0  0  0
    7.8364    5.7259   -0.2458 H   0  0  0  0  0
    7.1696    3.3574   -0.0142 H   0  0  0  0  0
    1.6475    7.6073    0.6619 H   0  0  0  0  0
    2.0520    6.5642   -0.7159 H   0  0  0  0  0
    1.0021    5.2638    1.1805 H   0  0  0  0  0
    2.3203    5.7632    2.2592 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7 15  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
 10 11  2  0  0  0
 10 23  1  0  0  0
 11 24  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 13 26  1  0  0  0
 14 15  1  0  0  0
 14 27  1  0  0  0
 14 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL139091

>  <PubChem CID>
15838838

>  <Formula>
C11H13NO3

>  <Molecular Weight>
207.229000

>  <IUPAC Name>
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide

>  <XlogP>
0.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)NCC1=C2C(=CC=C1)OCCO2

>  <Isomeric SMILES>
CC(=O)NCC1=C2C(=CC=C1)OCCO2

>  <InChI Std. ID>
InChI=1S/C11H13NO3/c1-8(13)12-7-9-3-2-4-10-11(9)15-6-5-14-10/h2-4H,5-7H2,1H3,(H,12,13)

>  <InChI Key>
AKXHOSGGEMFKSG-UHFFFAOYSA-N

