Molecule Editor

Molecule ID: FYI-1016385 Edit

Molecule Structure InChIKey: LLKKPUSORIOBFH-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc3c(F)c(F)c(c2noc(c1ccccc1)n2)c(F)c3F

Download SDF Download SVG Structure in 2D SDF:

FYI-1016385
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
   10.2100    2.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4224    3.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4224    4.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2100    5.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9975    4.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9975    3.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7851    2.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5062    3.3055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6388    1.3439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2693    1.0528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5693    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4306    4.8231    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    3.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458    5.1157    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3924    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8505    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1389    0.2926    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3541    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9236    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 21 12  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016385-3D
FYIcenter.com

 27 29  0     0  0  0  0  0  0999 V2000
    0.9559    2.0855   -0.5140 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0144   -2.4729    0.3354 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6458   -1.8131    0.5389 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5914    2.7253   -0.3074 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4420    0.7825    0.2185 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7552   -1.6213   -0.5722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9298    0.3371    0.1347 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3611   -1.7412   -0.6338 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4428   -0.2040   -0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0538   -0.5468   -0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8508    1.1206   -0.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3885   -1.1948    0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9976   -0.3699   -0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3906   -0.0242    0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7389   -0.8618    0.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2011    1.4538   -0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1453    0.4627    0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3772   -0.9543   -0.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7514    1.2400    0.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7243   -0.6204   -0.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0986    1.5738    0.6390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0850    0.6435    0.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1363   -1.9488   -0.6606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9994    1.9808    0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4928   -1.3444   -0.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3798    2.5580    1.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1340    0.9035    0.4194 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  0  0  0  0
 19 21  2  0  0  0  0
 19 24  1  0  0  0  0
 20 22  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
M  END
$$$$