
 SCHEMBL2193932

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.1548    1.4644   -0.9119 C   0  0  0  0  0
    1.3019    0.7228   -0.6326 C   0  0  0  0  0
    1.2050   -0.5275    0.0080 C   0  0  0  0  0
   -0.0601   -1.0252    0.3851 C   0  0  0  0  0
   -1.2077   -0.2640    0.0928 C   0  0  0  0  0
   -1.0962    0.9702   -0.5546 C   0  0  0  0  0
   -2.8040   -0.7807    0.5178 Cl  0  0  0  0  0
   -0.2260   -2.4711    1.3338 Cl  0  0  0  0  0
    2.4072   -1.2530    0.2156 N   0  0  0  0  0
    2.6250   -2.6105    0.0232 C   0  0  0  0  0
    3.8836   -2.9658    0.2125 N   0  0  0  0  0
    4.5000   -1.8112    0.5393 C   0  0  0  0  0
    3.6438   -0.7428    0.5578 C   0  0  0  0  0
    4.0722    0.5179    0.9312 N   0  0  0  0  0
    5.4498    0.7298    1.2739 C   0  0  0  0  0
    5.7971    1.8497    1.5941 O   0  0  0  0  0
    6.3437   -0.4570    1.2107 C   0  0  0  0  0
    5.8652   -1.6630    0.8614 C   0  0  0  0  0
    0.2299    2.4203   -1.4283 H   0  0  0  0  0
    2.2526    1.1161   -0.9890 H   0  0  0  0  0
   -1.9871    1.5537   -0.7819 H   0  0  0  0  0
    1.8448   -3.2862   -0.3065 H   0  0  0  0  0
    3.4435    1.3050    1.0183 H   0  0  0  0  0
    7.3824   -0.2935    1.4682 H   0  0  0  0  0
    6.5114   -2.5347    0.8227 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  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  7  1  0  0  0
  6 21  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 11  2  0  0  0
 10 22  1  0  0  0
 11 12  1  0  0  0
 12 18  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 23  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 24  1  0  0  0
 18 25  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2193932

>  <PubChem CID>
58345666

>  <Formula>
C12H7Cl2N3O

>  <Molecular Weight>
280.108000

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

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC(=C(C(=C1)Cl)Cl)N2C=NC3=C2NC(=O)C=C3

>  <Isomeric SMILES>
C1=CC(=C(C(=C1)Cl)Cl)N2C=NC3=C2NC(=O)C=C3

>  <InChI Std. ID>
InChI=1S/C12H7Cl2N3O/c13-7-2-1-3-9(11(7)14)17-6-15-8-4-5-10(18)16-12(8)17/h1-6H,(H,16,18)

>  <InChI Key>
MRVCEHHSAFJATN-UHFFFAOYSA-N

