
 SCHEMBL2193336

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.0464   -0.2150   -0.5432 C   0  0  0  0  0
    2.5029   -0.1148   -0.2415 C   0  0  0  0  0
    3.3047   -1.1663   -0.1463 N   0  0  0  0  0
    4.5376   -0.6448    0.0093 C   0  0  0  0  0
    4.5330    0.7220    0.0281 C   0  0  0  0  0
    3.2097    1.0914   -0.1239 N   0  0  0  0  0
    2.6756    2.4075   -0.0530 C   0  0  0  0  0
    3.2263    3.4909   -0.7695 C   0  0  0  0  0
    2.6797    4.7845   -0.6136 C   0  0  0  0  0
    1.5869    4.9782    0.2448 C   0  0  0  0  0
    1.0380    3.8981    0.9383 C   0  0  0  0  0
    1.5760    2.6200    0.7930 C   0  0  0  0  0
    0.8602    6.5261    0.4999 Cl  0  0  0  0  0
    3.3510    6.1372   -1.4759 Cl  0  0  0  0  0
    4.4866    3.2317   -1.9419 Cl  0  0  0  0  0
    5.6964    1.4392    0.2392 N   0  0  0  0  0
    6.9432    0.7501    0.4050 C   0  0  0  0  0
    7.9499    1.4089    0.5770 O   0  0  0  0  0
    6.8940   -0.7350    0.3603 C   0  0  0  0  0
    5.7305   -1.3800    0.1711 C   0  0  0  0  0
    0.8342   -1.1653   -1.0442 H   0  0  0  0  0
    0.7139    0.5867   -1.2088 H   0  0  0  0  0
    0.4591   -0.1876    0.3786 H   0  0  0  0  0
    0.1926    4.0508    1.6085 H   0  0  0  0  0
    1.1454    1.8170    1.3903 H   0  0  0  0  0
    5.7188    2.4503    0.2417 H   0  0  0  0  0
    7.8354   -1.2537    0.4885 H   0  0  0  0  0
    5.6877   -2.4643    0.1403 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  4 20  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 16  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 15  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 24  1  0  0  0
 12 25  1  0  0  0
 16 17  1  0  0  0
 16 26  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  2  0  0  0
 19 27  1  0  0  0
 20 28  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2193336

>  <PubChem CID>
58345643

>  <Formula>
C13H8Cl3N3O

>  <Molecular Weight>
328.577000

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

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=NC2=C(N1C3=C(C(=C(C=C3)Cl)Cl)Cl)NC(=O)C=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1C3=C(C(=C(C=C3)Cl)Cl)Cl)NC(=O)C=C2

>  <InChI Std. ID>
InChI=1S/C13H8Cl3N3O/c1-6-17-8-3-5-10(20)18-13(8)19(6)9-4-2-7(14)11(15)12(9)16/h2-5H,1H3,(H,18,20)

>  <InChI Key>
DPRDVSHCQIDIEY-UHFFFAOYSA-N

