
 CHEMBL1933158

 31 32  0  0  0  0  0  0  0  0999 V2000
   -2.6105    0.5533   -1.3715 C   0  0  0  0  0
   -1.4327    1.2761   -1.1625 C   0  0  0  0  0
   -1.2580    2.0070    0.0168 C   0  0  0  0  0
   -2.2558    1.9662    1.0035 C   0  0  0  0  0
   -3.4350    1.2489    0.7931 C   0  0  0  0  0
   -3.6076    0.5507   -0.3981 C   0  0  0  0  0
   -5.0579   -0.3332   -0.6683 Cl  0  0  0  0  0
   -2.0683    2.8039    2.5041 Cl  0  0  0  0  0
   -0.1256    2.7305    0.2816 O   0  0  0  0  0
    0.4703    3.3848   -0.8470 C   0  0  0  0  0
    1.1982    4.6310   -0.3441 C   0  0  0  0  0
    0.2114    5.6158   -0.0061 O   0  0  0  0  0
    0.6036    6.5588    0.9009 C   0  0  0  0  0
   -0.3389    7.0758    1.7933 C   0  0  0  0  0
   -0.0807    8.0150    2.7324 N   0  0  0  0  0
    1.1874    8.4764    2.7694 C   0  0  0  0  0
    2.1964    8.0581    1.9093 C   0  0  0  0  0
    1.8939    7.0853    0.9557 C   0  0  0  0  0
    1.4620    9.4901    3.8068 C   0  0  0  0  0
    2.5655   10.0059    3.9452 O   0  0  0  0  0
   -1.9799    6.5581    1.7935 Cl  0  0  0  0  0
   -2.7413   -0.0079   -2.2939 H   0  0  0  0  0
   -0.6596    1.2434   -1.9250 H   0  0  0  0  0
   -4.2106    1.2362    1.5541 H   0  0  0  0  0
   -0.2885    3.6829   -1.5817 H   0  0  0  0  0
    1.1900    2.6970   -1.3042 H   0  0  0  0  0
    1.8311    5.0307   -1.1434 H   0  0  0  0  0
    1.8075    4.3701    0.5298 H   0  0  0  0  0
    3.1948    8.4811    1.9757 H   0  0  0  0  0
    2.6685    6.7698    0.2641 H   0  0  0  0  0
    0.6097    9.7546    4.4541 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  2  0  0  0
  3  9  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 21  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 29  1  0  0  0
 18 30  1  0  0  0
 19 20  2  0  0  0
 19 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1933158

>  <PubChem CID>
57393539

>  <Formula>
C14H10Cl3NO3

>  <Molecular Weight>
346.588000

>  <IUPAC Name>
6-chloro-5-[2-(2,4-dichlorophenoxy)ethoxy]pyridine-2-carbaldehyde

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC(=C(C=C1Cl)Cl)OCCOC2=C(N=C(C=C2)C=O)Cl

>  <Isomeric SMILES>
C1=CC(=C(C=C1Cl)Cl)OCCOC2=C(N=C(C=C2)C=O)Cl

>  <InChI Std. ID>
InChI=1S/C14H10Cl3NO3/c15-9-1-3-12(11(16)7-9)20-5-6-21-13-4-2-10(8-19)18-14(13)17/h1-4,7-8H,5-6H2

>  <InChI Key>
ATAGRZOAWANQLR-UHFFFAOYSA-N

