
 CHEMBL512236

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.6451    1.8269    4.2553 C   0  0  0  0  0
    5.2747    2.7178    3.3889 C   0  0  0  0  0
    5.2650    2.4718    2.0169 C   0  0  0  0  0
    4.6473    1.3418    1.4777 C   0  0  0  0  0
    4.0106    0.4704    2.3623 C   0  0  0  0  0
    4.0079    0.7004    3.7379 C   0  0  0  0  0
    3.3908   -0.6222    1.8965 F   0  0  0  0  0
    4.6520    1.0985   -0.0053 C   0  0  0  0  0
    5.2084   -0.1792   -0.3930 N   0  0  0  0  0
    6.5408   -0.5872   -0.2053 C   0  0  0  0  0
    6.7372   -1.8818   -0.6869 C   0  0  0  0  0
    7.9493   -2.5420   -0.6214 C   0  0  0  0  0
    9.0067   -1.8487   -0.0384 C   0  0  0  0  0
    8.8366   -0.5379    0.4465 C   0  0  0  0  0
    7.5944    0.1070    0.3604 C   0  0  0  0  0
   10.5486   -2.6013    0.0901 Cl  0  0  0  0  0
    5.4654   -2.3392   -1.2439 C   0  0  0  0  0
    5.2471   -3.4062   -1.7680 O   0  0  0  0  0
    4.4746   -1.1656   -1.0380 C   0  0  0  0  0
    3.3195   -1.1539   -1.4053 O   0  0  0  0  0
    5.8903    3.3384    1.2073 F   0  0  0  0  0
    4.6478    2.0103    5.3270 H   0  0  0  0  0
    5.7749    3.6028    3.7719 H   0  0  0  0  0
    3.5065   -0.0035    4.3963 H   0  0  0  0  0
    5.2194    1.8721   -0.5362 H   0  0  0  0  0
    3.6195    1.1718   -0.3683 H   0  0  0  0  0
    8.0614   -3.5496   -1.0073 H   0  0  0  0  0
    9.6790   -0.0131    0.8944 H   0  0  0  0  0
    7.4915    1.1208    0.7299 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  2  0  0  0
  3 21  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 24  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  8 26  1  0  0  0
  9 19  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 17  1  0  0  0
 12 13  2  0  0  0
 12 27  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 28  1  0  0  0
 15 29  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL512236

>  <PubChem CID>
44158226

>  <Formula>
C15H8ClF2NO2

>  <Molecular Weight>
307.681000

>  <IUPAC Name>
5-chloro-1-[(2,6-difluorophenyl)methyl]indole-2,3-dione

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC(=C(C(=C1)F)CN2C3=C(C=C(C=C3)Cl)C(=O)C2=O)F

>  <Isomeric SMILES>
C1=CC(=C(C(=C1)F)CN2C3=C(C=C(C=C3)Cl)C(=O)C2=O)F

>  <InChI Std. ID>
InChI=1S/C15H8ClF2NO2/c16-8-4-5-13-9(6-8)14(20)15(21)19(13)7-10-11(17)2-1-3-12(10)18/h1-6H,7H2

>  <InChI Key>
BFGWPNASFZKVNI-UHFFFAOYSA-N

