
 CHEMBL3601003

 40 42  0  0  0  0  0  0  0  0999 V2000
   -0.8510    1.4191   -0.0459 C   0  0  0  0  0
    0.5449    1.4764    0.0163 C   0  0  0  0  0
    1.2893    0.3052    0.1513 C   0  0  0  0  0
    0.6272   -0.9224    0.1992 C   0  0  0  0  0
   -0.7679   -0.9816    0.1387 C   0  0  0  0  0
   -1.5211    0.1908    0.0137 C   0  0  0  0  0
   -3.0285    0.1351   -0.0530 C   0  0  0  0  0
   -3.5657    0.5886   -1.4092 C   0  0  0  0  0
   -5.0656    0.4955   -1.4493 C   0  0  0  0  0
   -5.8146    0.1985   -0.5378 O   0  0  0  0  0
   -5.5551    0.8085   -2.6662 O   0  0  0  0  0
    2.6542    0.2325    0.2121 O   0  0  0  0  0
    3.3197    1.4116    0.6658 C   0  0  0  0  0
    4.7842    1.1581    0.7302 C   0  0  0  0  0
    5.7340    1.9606    1.1603 N   0  0  0  0  0
    6.8793    1.2332    0.9138 C   0  0  0  0  0
    6.6492    0.0284    0.3674 N   0  0  0  0  0
    5.2620   -0.0221    0.2424 O   0  0  0  0  0
    8.2091    1.7585    1.2088 C   0  0  0  0  0
    9.3653    1.0355    0.8756 C   0  0  0  0  0
   10.6349    1.5547    1.1520 C   0  0  0  0  0
   10.7562    2.7998    1.7647 C   0  0  0  0  0
    9.6205    3.5309    2.1037 C   0  0  0  0  0
    8.3522    3.0118    1.8260 C   0  0  0  0  0
   12.3170    3.4388    2.1028 Cl  0  0  0  0  0
   -1.4118    2.3459   -0.1459 H   0  0  0  0  0
    1.0115    2.4528   -0.0613 H   0  0  0  0  0
    1.2002   -1.8418    0.2946 H   0  0  0  0  0
   -1.2570   -1.9518    0.1919 H   0  0  0  0  0
   -3.4376    0.7599    0.7519 H   0  0  0  0  0
   -3.3737   -0.8857    0.1578 H   0  0  0  0  0
   -3.1563   -0.0431   -2.2050 H   0  0  0  0  0
   -3.2886    1.6294   -1.6075 H   0  0  0  0  0
   -6.5257    0.7186   -2.5646 H   0  0  0  0  0
    2.9593    1.6846    1.6650 H   0  0  0  0  0
    3.1613    2.2410   -0.0322 H   0  0  0  0  0
    9.2892    0.0622    0.3937 H   0  0  0  0  0
   11.5196    0.9827    0.8851 H   0  0  0  0  0
    9.7119    4.5028    2.5814 H   0  0  0  0  0
    7.4728    3.5953    2.0945 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 18  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 19  1  0  0  0
 17 18  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 37  1  0  0  0
 21 22  2  0  0  0
 21 38  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 39  1  0  0  0
 24 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3601003

>  <PubChem CID>
122184686

>  <Formula>
C18H15ClN2O4

>  <Molecular Weight>
358.778000

>  <IUPAC Name>
3-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]propanoic acid

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC(=CC=C1CCC(=O)O)OCC2=NC(=NO2)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
C1=CC(=CC=C1CCC(=O)O)OCC2=NC(=NO2)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C18H15ClN2O4/c19-14-6-4-13(5-7-14)18-20-16(25-21-18)11-24-15-8-1-12(2-9-15)3-10-17(22)23/h1-2,4-9H,3,10-11H2,(H,22,23)

>  <InChI Key>
LADPDPKGTWEYMD-UHFFFAOYSA-N

