
 CHEMBL209480

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.3208    1.8779   -0.2826 C   0  0  0  0  0
    2.2641    0.8598   -0.0334 C   0  0  0  0  0
    1.8595   -0.4602    0.2012 C   0  0  0  0  0
    0.5051   -0.7203    0.1800 C   0  0  0  0  0
   -0.4198    0.2849   -0.0781 C   0  0  0  0  0
   -0.0456    1.5933   -0.3113 C   0  0  0  0  0
   -1.7476   -0.3274   -0.0277 C   0  0  0  0  0
   -2.8348    0.3294   -0.2742 N   0  0  0  0  0
   -4.1046   -0.2529   -0.2199 C   0  0  0  0  0
   -4.4756   -1.3659   -0.9767 C   0  0  0  0  0
   -5.7858   -1.8506   -0.9365 C   0  0  0  0  0
   -6.7534   -1.1936   -0.1782 C   0  0  0  0  0
   -6.4174   -0.0437    0.5502 C   0  0  0  0  0
   -5.0873    0.4075    0.5232 C   0  0  0  0  0
   -7.4524    0.7269    1.3259 C   0  0  0  0  0
   -7.1371    0.8516    2.6450 F   0  0  0  0  0
   -7.6120    1.9975    0.8598 F   0  0  0  0  0
   -8.6927    0.1635    1.2922 F   0  0  0  0  0
   -1.4999   -1.8038    0.3496 C   0  0  0  0  0
   -2.3227   -2.6677    0.5526 O   0  0  0  0  0
   -0.1257   -1.9360    0.4147 N   0  0  0  0  0
    1.6626    2.8971   -0.4530 H   0  0  0  0  0
    3.3254    1.1087   -0.0189 H   0  0  0  0  0
    2.5903   -1.2370    0.3971 H   0  0  0  0  0
   -0.7858    2.3639   -0.4991 H   0  0  0  0  0
   -3.7443   -1.8736   -1.5984 H   0  0  0  0  0
   -6.0509   -2.7372   -1.5092 H   0  0  0  0  0
   -7.7740   -1.5727   -0.1697 H   0  0  0  0  0
   -4.8117    1.3083    1.0708 H   0  0  0  0  0
    0.3289   -2.8072    0.6459 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 24  1  0  0  0
  4 21  1  0  0  0
  4  5  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  6 25  1  0  0  0
  7 19  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 26  1  0  0  0
 11 12  2  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 14 29  1  0  0  0
 15 18  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL209480

>  <PubChem CID>
135411930

>  <Formula>
C15H9F3N2O

>  <Molecular Weight>
290.245000

>  <IUPAC Name>
3-[3-(trifluoromethyl)phenyl]imino-1H-indol-2-one

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C15H9F3N2O/c16-15(17,18)9-4-3-5-10(8-9)19-13-11-6-1-2-7-12(11)20-14(13)21/h1-8H,(H,19,20,21)

>  <InChI Key>
BNSKFCOAYKYHCS-UHFFFAOYSA-N

