
 CHEMBL378877

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.7985    1.3656    0.3636 C   0  0  0  0  0
    2.2782    0.1166   -0.0839 C   0  0  0  0  0
    1.3968   -0.9017   -0.4677 C   0  0  0  0  0
    0.0470   -0.6333   -0.3891 C   0  0  0  0  0
   -0.4205    0.6003    0.0563 C   0  0  0  0  0
    0.4270    1.6203    0.4378 C   0  0  0  0  0
   -1.8790    0.5426    0.0110 C   0  0  0  0  0
   -2.6624    1.5171    0.3529 N   0  0  0  0  0
   -4.0528    1.3386    0.2235 C   0  0  0  0  0
   -4.7425    1.5795   -0.9826 C   0  0  0  0  0
   -6.1330    1.4067   -1.0332 C   0  0  0  0  0
   -6.8358    1.0102    0.1096 C   0  0  0  0  0
   -6.1590    0.7905    1.3074 C   0  0  0  0  0
   -4.7763    0.9613    1.3627 C   0  0  0  0  0
   -7.0526    1.6749   -2.4747 Cl  0  0  0  0  0
   -3.8520    2.0888   -2.3858 Cl  0  0  0  0  0
   -2.2214   -0.8707   -0.5069 C   0  0  0  0  0
   -3.3242   -1.3410   -0.6733 O   0  0  0  0  0
   -1.0030   -1.4845   -0.7163 N   0  0  0  0  0
    2.5067    2.1402    0.6521 H   0  0  0  0  0
    3.3524   -0.0545   -0.1328 H   0  0  0  0  0
    1.7723   -1.8585   -0.8128 H   0  0  0  0  0
    0.0410    2.5761    0.7755 H   0  0  0  0  0
   -7.9140    0.8737    0.0716 H   0  0  0  0  0
   -6.7058    0.4862    2.1965 H   0  0  0  0  0
   -4.2502    0.7952    2.2995 H   0  0  0  0  0
   -0.9176   -2.4292   -1.0599 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3 22  1  0  0  0
  4 19  1  0  0  0
  4  5  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  6 23  1  0  0  0
  7 17  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 16  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 24  1  0  0  0
 13 14  2  0  0  0
 13 25  1  0  0  0
 14 26  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL378877

>  <PubChem CID>
135559217

>  <Formula>
C14H8Cl2N2O

>  <Molecular Weight>
291.131000

>  <IUPAC Name>
3-(2,3-dichlorophenyl)imino-1H-indol-2-one

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C14H8Cl2N2O/c15-9-5-3-7-11(12(9)16)17-13-8-4-1-2-6-10(8)18-14(13)19/h1-7H,(H,17,18,19)

>  <InChI Key>
AUBZCTXOLGPERG-UHFFFAOYSA-N

