
 SCHEMBL2194137

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.8650    1.4688   -0.1122 C   0  0  0  0  0
   -2.0827    0.9012   -0.0868 C   0  0  0  0  0
   -2.2345   -0.5734    0.0173 C   0  0  0  0  0
   -3.2948   -1.1653    0.0671 O   0  0  0  0  0
   -1.0240   -1.3450    0.0705 N   0  0  0  0  0
    0.2023   -0.7050    0.0171 C   0  0  0  0  0
    0.2887    0.6597   -0.0509 C   0  0  0  0  0
    1.5625    1.1023   -0.0246 N   0  0  0  0  0
    2.2805   -0.0037    0.0564 C   0  0  0  0  0
    1.5071   -1.1559    0.0804 N   0  0  0  0  0
    1.9577   -2.5029    0.0770 C   0  0  0  0  0
    1.2538   -3.4348   -0.7074 C   0  0  0  0  0
    1.6751   -4.7690   -0.7815 C   0  0  0  0  0
    2.8027   -5.1850   -0.0712 C   0  0  0  0  0
    3.5023   -4.2665    0.7149 C   0  0  0  0  0
    3.0878   -2.9302    0.7952 C   0  0  0  0  0
    3.9472   -1.9387    1.9191 Cl  0  0  0  0  0
    3.3745   -6.8123   -0.1115 Cl  0  0  0  0  0
    0.7570   -5.8384   -1.7781 Cl  0  0  0  0  0
   -0.7483    2.5463   -0.1782 H   0  0  0  0  0
   -2.9972    1.4796   -0.1298 H   0  0  0  0  0
   -1.1218   -2.3440    0.1911 H   0  0  0  0  0
    3.3635   -0.0241    0.0428 H   0  0  0  0  0
    0.4101   -3.1334   -1.3258 H   0  0  0  0  0
    4.3684   -4.6012    1.2849 H   0  0  0  0  0
  1  2  2  0  0  0
  1  7  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 23  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 24  1  0  0  0
 13 14  2  0  0  0
 13 19  1  0  0  0
 14 15  1  0  0  0
 14 18  1  0  0  0
 15 16  2  0  0  0
 15 25  1  0  0  0
 16 17  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2194137

>  <PubChem CID>
58345766

>  <Formula>
C12H6Cl3N3O

>  <Molecular Weight>
314.550000

>  <IUPAC Name>
3-(2,4,5-trichlorophenyl)-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC(=O)NC2=C1N=CN2C3=CC(=C(C=C3Cl)Cl)Cl

>  <Isomeric SMILES>
C1=CC(=O)NC2=C1N=CN2C3=CC(=C(C=C3Cl)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C12H6Cl3N3O/c13-6-3-8(15)10(4-7(6)14)18-5-16-9-1-2-11(19)17-12(9)18/h1-5H,(H,17,19)

>  <InChI Key>
LJOMNIRLOGTOHZ-UHFFFAOYSA-N

