
 SCHEMBL2194867

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.8432    1.3613   -0.4940 C   0  0  0  0  0
   -1.4952    0.3385    0.1869 C   0  0  0  0  0
   -0.7575   -0.7029    0.7490 C   0  0  0  0  0
    0.6376   -0.7344    0.6308 C   0  0  0  0  0
    1.3004    0.2935   -0.0608 C   0  0  0  0  0
    0.5475    1.3442   -0.6182 C   0  0  0  0  0
    2.7052    0.3061   -0.2505 N   0  0  0  0  0
    3.5350   -0.7680   -0.5411 C   0  0  0  0  0
    4.7917   -0.4135   -0.7467 N   0  0  0  0  0
    4.7798    0.9252   -0.5805 C   0  0  0  0  0
    3.5367    1.4082   -0.2714 C   0  0  0  0  0
    3.3323    2.7477    0.0062 N   0  0  0  0  0
    4.4319    3.6666   -0.0668 C   0  0  0  0  0
    4.2213    4.8381    0.1790 O   0  0  0  0  0
    5.7547    3.0962   -0.4365 C   0  0  0  0  0
    5.8976    1.7810   -0.6723 C   0  0  0  0  0
    1.4446   -1.9954    1.4943 Cl  0  0  0  0  0
   -1.4241    2.1641   -0.9453 H   0  0  0  0  0
   -2.5792    0.3501    0.2830 H   0  0  0  0  0
   -1.2816   -1.4849    1.2964 H   0  0  0  0  0
    1.0068    2.1298   -1.2147 H   0  0  0  0  0
    3.1639   -1.7802   -0.6460 H   0  0  0  0  0
    2.4375    3.1102    0.3067 H   0  0  0  0  0
    6.5819    3.7921   -0.4926 H   0  0  0  0  0
    6.8628    1.3577   -0.9327 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  4  2  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 21  1  0  0  0
  7  8  1  0  0  0
  7 11  1  0  0  0
  8  9  2  0  0  0
  8 22  1  0  0  0
  9 10  1  0  0  0
 10 16  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 23  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 24  1  0  0  0
 16 25  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2194867

>  <PubChem CID>
46830068

>  <Formula>
C12H8ClN3O

>  <Molecular Weight>
245.666000

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

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C12H8ClN3O/c13-8-3-1-2-4-10(8)16-7-14-9-5-6-11(17)15-12(9)16/h1-7H,(H,15,17)

>  <InChI Key>
ATLOWEQMUKCOCB-UHFFFAOYSA-N

