
 CHEMBL141208

 35 36  0  0  0  0  0  0  0  0999 V2000
    8.2130    7.7295   -1.6342 C   0  0  0  0  0
    6.8296    7.1457   -1.5406 C   0  0  0  0  0
    5.8227    7.8419   -1.6181 O   0  0  0  0  0
    6.8144    5.7795   -1.4008 N   0  0  0  0  0
    5.5937    5.0127   -1.2663 C   0  0  0  0  0
    5.5382    4.2616    0.0637 C   0  0  0  0  0
    6.5013    3.0726    0.1102 C   0  0  0  0  0
    7.8449    3.5470    0.0464 O   0  0  0  0  0
    8.8698    2.6437    0.1603 C   0  0  0  0  0
   10.1241    3.2676    0.2506 C   0  0  0  0  0
   11.2991    2.5220    0.3505 C   0  0  0  0  0
   11.2334    1.1337    0.3699 C   0  0  0  0  0
    9.9954    0.4971    0.2905 C   0  0  0  0  0
    8.8070    1.2414    0.1637 C   0  0  0  0  0
    7.5910    0.6143    0.0453 O   0  0  0  0  0
    7.7192   -0.7561   -0.3397 C   0  0  0  0  0
    8.7446   -1.4468    0.5357 C   0  0  0  0  0
   10.0380   -0.8760    0.3275 O   0  0  0  0  0
    8.9355    7.1240   -1.0797 H   0  0  0  0  0
    8.2101    8.7347   -1.2031 H   0  0  0  0  0
    8.5111    7.7819   -2.6844 H   0  0  0  0  0
    7.6890    5.2735   -1.3069 H   0  0  0  0  0
    5.5541    4.3143   -2.1091 H   0  0  0  0  0
    4.7276    5.6779   -1.3447 H   0  0  0  0  0
    4.5194    3.8851    0.2111 H   0  0  0  0  0
    5.7642    4.9533    0.8844 H   0  0  0  0  0
    6.2878    2.4224   -0.7451 H   0  0  0  0  0
    6.3388    2.5364    1.0523 H   0  0  0  0  0
   10.1854    4.3538    0.2445 H   0  0  0  0  0
   12.2607    3.0237    0.4176 H   0  0  0  0  0
   12.1429    0.5448    0.4548 H   0  0  0  0  0
    6.7385   -1.2271   -0.2218 H   0  0  0  0  0
    7.9942   -0.7989   -1.4009 H   0  0  0  0  0
    8.8051   -2.5099    0.2827 H   0  0  0  0  0
    8.4914   -1.3607    1.5994 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
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 11 12  2  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL141208

>  <PubChem CID>
44359381

>  <Formula>
C13H17NO4

>  <Molecular Weight>
251.282000

>  <IUPAC Name>
N-[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propyl]acetamide

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)NCCCOC1=CC=CC2=C1OCCO2

>  <Isomeric SMILES>
CC(=O)NCCCOC1=CC=CC2=C1OCCO2

>  <InChI Std. ID>
InChI=1S/C13H17NO4/c1-10(15)14-6-3-7-16-11-4-2-5-12-13(11)18-9-8-17-12/h2,4-5H,3,6-9H2,1H3,(H,14,15)

>  <InChI Key>
APZRWANZZZBDMN-UHFFFAOYSA-N

