
 CHEMBL240665

 38 40  0  0  0  0  0  0  0  0999 V2000
   -0.7075   -1.1544    0.7627 C   0  0  0  0  0
   -1.5795   -0.6813   -0.2167 C   0  0  0  0  0
   -1.0676   -0.1207   -1.3839 C   0  0  0  0  0
    0.3123   -0.0459   -1.5690 C   0  0  0  0  0
    1.2082   -0.5355   -0.6093 C   0  0  0  0  0
    0.6771   -1.0759    0.5717 C   0  0  0  0  0
    2.6579   -0.4176   -0.8411 C   0  0  0  0  0
    3.5750   -1.2867   -0.3825 C   0  0  0  0  0
    5.0208   -1.1664   -0.6249 C   0  0  0  0  0
    5.4503   -0.1370   -1.3953 N   0  0  0  0  0
    6.7845   -0.0192   -1.6033 C   0  0  0  0  0
    7.7103   -0.9065   -1.0890 C   0  0  0  0  0
    7.2659   -1.9520   -0.2860 C   0  0  0  0  0
    5.8977   -2.0896   -0.0585 C   0  0  0  0  0
    9.4272   -0.6350   -1.3752 S   0  0  0  0  0
    9.5825    0.7936   -1.5872 O   0  0  0  0  0
   10.1669   -1.2851   -0.3088 O   0  0  0  0  0
    9.8756   -1.4340   -2.8813 C   0  0  0  0  0
   10.4238   -0.7005   -3.9386 C   0  0  0  0  0
   10.7939   -1.3591   -5.1125 C   0  0  0  0  0
   10.6208   -2.7400   -5.2262 C   0  0  0  0  0
   10.0756   -3.4649   -4.1660 C   0  0  0  0  0
    9.7054   -2.8074   -2.9959 C   0  0  0  0  0
    9.1842   -3.5287   -1.9956 F   0  0  0  0  0
    0.7707    0.5049   -2.7043 F   0  0  0  0  0
   -1.1030   -1.5800    1.6817 H   0  0  0  0  0
   -2.6542   -0.7425   -0.0664 H   0  0  0  0  0
   -1.7308    0.2614   -2.1536 H   0  0  0  0  0
    1.3309   -1.4308    1.3640 H   0  0  0  0  0
    2.9654    0.4309   -1.4513 H   0  0  0  0  0
    3.2704   -2.1503    0.1995 H   0  0  0  0  0
    7.0747    0.8385   -2.2053 H   0  0  0  0  0
    7.9660   -2.6540    0.1613 H   0  0  0  0  0
    5.5334   -2.9027    0.5617 H   0  0  0  0  0
   10.5759    0.3747   -3.8566 H   0  0  0  0  0
   11.2253   -0.7962   -5.9384 H   0  0  0  0  0
   10.9159   -3.2515   -6.1401 H   0  0  0  0  0
    9.9420   -4.5401   -4.2436 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3  4  2  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 33  1  0  0  0
 14 34  1  0  0  0
 15 18  1  0  0  0
 15 17  2  0  0  0
 15 16  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 35  1  0  0  0
 20 21  2  0  0  0
 20 36  1  0  0  0
 21 22  1  0  0  0
 21 37  1  0  0  0
 22 23  2  0  0  0
 22 38  1  0  0  0
 23 24  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL240665

>  <PubChem CID>
21099473

>  <Formula>
C19H13F2NO2S

>  <Molecular Weight>
357.375000

>  <IUPAC Name>
2-[(E)-2-(2-fluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C(C(=C1)C=CC2=NC=C(C=C2)S(=O)(=O)C3=CC=CC=C3F)F

>  <Isomeric SMILES>
C1=CC=C(C(=C1)/C=C/C2=NC=C(C=C2)S(=O)(=O)C3=CC=CC=C3F)F

>  <InChI Std. ID>
InChI=1S/C19H13F2NO2S/c20-17-6-2-1-5-14(17)9-10-15-11-12-16(13-22-15)25(23,24)19-8-4-3-7-18(19)21/h1-13H/b10-9+

>  <InChI Key>
AMJJFRAHQZYBJE-MDZDMXLPSA-N

