Molecule FYI-1014365

A

Molecule Summary:

ID: FYI-1014365
Names:
InChIKey: SITZAYDDVLIYKF-UHFFFAOYSA-N
SMILES: O=c2nc(Cc1cccc(F)c1)[nH]c3ccc(F)cc23

Received at FYIcenter.com on: 2025-04-07

Molecule ID: FYI-1014365 Edit

Molecule Structure InChIKey: SITZAYDDVLIYKF-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2nc(Cc1cccc(F)c1)[nH]c3ccc(F)cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1014365
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   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  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 12  6  1  0  0  0  0
 13  4  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 20  2  1  0  0  0  0
 20 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014365-3D
FYIcenter.com

 30 32  0     0  0  0  0  0  0999 V2000
    5.4480   -0.5948    1.2840 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0045    1.0261    2.3722 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9766    2.8279   -0.0088 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4124   -0.7252   -1.0081 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2228    1.6481   -0.8957 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6106    0.3978   -1.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2403    0.4701   -1.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6845   -0.7201   -0.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2583    0.5064   -0.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6271   -0.0454   -0.8202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4779    1.7511   -0.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3959   -1.9015   -0.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5287    0.5550    0.5099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8470    0.7122    0.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3542   -1.2167   -1.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6651   -1.8558    0.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2294   -0.6311    0.7292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7941    0.2988    1.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3010   -1.6303   -0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5212   -0.8724    1.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5656   -0.2900   -2.6783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8939    1.3796   -2.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002   -1.6130   -1.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9691   -2.8631   -0.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9858    1.4979    0.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2963    1.6314    0.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1933   -1.8179   -1.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2152   -2.7764    0.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8669   -2.5423   -0.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2582   -1.1942    1.7836 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 11  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 24  1  0  0  0  0
 13 17  2  0  0  0  0
 13 25  1  0  0  0  0
 14 18  1  0  0  0  0
 14 26  1  0  0  0  0
 15 19  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
$$$$

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2025-04-26, 1326👍, 0💬