
 CHEMBL209737

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.7513    1.1519    0.6528 C   0  0  0  0  0
    2.1890   -0.0764    0.1146 C   0  0  0  0  0
    1.2815   -0.9899   -0.4351 C   0  0  0  0  0
   -0.0516   -0.6397   -0.4280 C   0  0  0  0  0
   -0.4784    0.5732    0.1057 C   0  0  0  0  0
    0.3958    1.4900    0.6528 C   0  0  0  0  0
   -1.9306    0.6182   -0.0469 C   0  0  0  0  0
   -2.6734    1.6034    0.3484 N   0  0  0  0  0
   -4.0553    1.5305    0.1491 C   0  0  0  0  0
   -4.6336    2.1430   -0.9665 C   0  0  0  0  0
   -6.0177    2.1076   -1.1549 C   0  0  0  0  0
   -6.8251    1.4670   -0.2168 C   0  0  0  0  0
   -6.2622    0.8707    0.9099 C   0  0  0  0  0
   -4.8781    0.9113    1.0951 C   0  0  0  0  0
   -8.5302    1.4238   -0.4449 Cl  0  0  0  0  0
   -2.3137   -0.7077   -0.7420 C   0  0  0  0  0
   -3.4187   -1.0795   -1.0645 O   0  0  0  0  0
   -1.1214   -1.3805   -0.9179 N   0  0  0  0  0
    2.4792    1.8438    1.0732 H   0  0  0  0  0
    3.2513   -0.3148    0.1280 H   0  0  0  0  0
    1.6246   -1.9321   -0.8474 H   0  0  0  0  0
    0.0415    2.4301    1.0626 H   0  0  0  0  0
   -4.0015    2.6489   -1.6906 H   0  0  0  0  0
   -6.4547    2.5803   -2.0297 H   0  0  0  0  0
   -6.8896    0.3757    1.6449 H   0  0  0  0  0
   -4.4368    0.4546    1.9759 H   0  0  0  0  0
   -1.0665   -2.2890   -1.3535 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 21  1  0  0  0
  4 18  1  0  0  0
  4  5  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  6 22  1  0  0  0
  7 16  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 23  1  0  0  0
 11 12  2  0  0  0
 11 24  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 25  1  0  0  0
 14 26  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL209737

>  <PubChem CID>
135411931

>  <Formula>
C14H9ClN2O

>  <Molecular Weight>
256.689000

>  <IUPAC Name>
3-(4-chlorophenyl)imino-1H-indol-2-one

>  <XlogP>
3.300

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C2C(=C1)C(=NC3=CC=C(C=C3)Cl)C(=O)N2

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C(=NC3=CC=C(C=C3)Cl)C(=O)N2

>  <InChI Std. ID>
InChI=1S/C14H9ClN2O/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)17-14(13)18/h1-8H,(H,16,17,18)

>  <InChI Key>
CPOOLXVTWFEFNO-UHFFFAOYSA-N

