
 CHEMBL1992695

 41 43  0  0  0  0  0  0  0  0999 V2000
   -0.0188    3.4640   -2.4439 C   0  0  0  0  0
    0.9082    2.8225   -1.5741 O   0  0  0  0  0
    1.9554    3.5942   -1.1502 C   0  0  0  0  0
    3.0790    2.8869   -0.7161 C   0  0  0  0  0
    4.2233    3.5630   -0.2830 C   0  0  0  0  0
    4.2550    4.9578   -0.3134 C   0  0  0  0  0
    3.1098    5.6663   -0.6817 C   0  0  0  0  0
    1.9614    4.9878   -1.0996 C   0  0  0  0  0
    5.3373    5.7209    0.0492 O   0  0  0  0  0
    6.6380    5.2715   -0.1709 C   0  0  0  0  0
    7.6087    5.5945    0.6891 C   0  0  0  0  0
    8.9646    5.1021    0.4310 C   0  0  0  0  0
    9.3100    4.3410   -0.5540 N   0  0  0  0  0
    8.3168    4.0045   -1.4422 N   0  0  0  0  0
    7.0222    4.5113   -1.4072 C   0  0  0  0  0
    6.2279    4.3308   -2.3285 O   0  0  0  0  0
    8.6701    3.0499   -2.4912 C   0  0  0  0  0
    8.2377    1.6484   -2.0633 C   0  0  0  0  0
    8.2007    1.2978   -0.8802 O   0  0  0  0  0
    7.7957    0.6514   -3.0865 C   0  0  0  0  0
    8.2586    0.5680   -4.4080 C   0  0  0  0  0
    7.7435   -0.4088   -5.2746 C   0  0  0  0  0
    6.7938   -1.3215   -4.8229 C   0  0  0  0  0
    6.3508   -1.2774   -3.5072 C   0  0  0  0  0
    6.8476   -0.2955   -2.6462 C   0  0  0  0  0
    6.1828   -2.5210   -5.8926 Cl  0  0  0  0  0
    9.5219    1.5508   -5.0558 Cl  0  0  0  0  0
    7.3693    6.5276    2.1109 Cl  0  0  0  0  0
   -0.6852    2.6959   -2.8477 H   0  0  0  0  0
    0.4897    3.9416   -3.2890 H   0  0  0  0  0
   -0.6351    4.1846   -1.8972 H   0  0  0  0  0
    3.0710    1.8003   -0.7351 H   0  0  0  0  0
    5.0813    2.9825    0.0421 H   0  0  0  0  0
    3.1133    6.7527   -0.6559 H   0  0  0  0  0
    1.0912    5.5731   -1.3764 H   0  0  0  0  0
    9.7403    5.4018    1.1558 H   0  0  0  0  0
    9.7542    3.0688   -2.6358 H   0  0  0  0  0
    8.1571    3.3438   -3.4105 H   0  0  0  0  0
    8.0976   -0.4691   -6.3017 H   0  0  0  0  0
    5.6240   -1.9991   -3.1419 H   0  0  0  0  0
    6.4897   -0.2758   -1.6163 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 34  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 12 13  2  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 27  1  0  0  0
 22 23  2  0  0  0
 22 39  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 40  1  0  0  0
 25 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1992695

>  <PubChem CID>
53234168

>  <Formula>
C19H13Cl3N2O4

>  <Molecular Weight>
439.673000

>  <IUPAC Name>
5-chloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-4-(4-methoxyphenoxy)pyridazin-3-one

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=C(C=C1)OC2=C(C=NN(C2=O)CC(=O)C3=C(C=C(C=C3)Cl)Cl)Cl

>  <Isomeric SMILES>
COC1=CC=C(C=C1)OC2=C(C=NN(C2=O)CC(=O)C3=C(C=C(C=C3)Cl)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C19H13Cl3N2O4/c1-27-12-3-5-13(6-4-12)28-18-16(22)9-23-24(19(18)26)10-17(25)14-7-2-11(20)8-15(14)21/h2-9H,10H2,1H3

>  <InChI Key>
DAIZAQYOXCJXEB-UHFFFAOYSA-N

