Molecule FYI-1008825

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A

Molecule Summary:

ID: FYI-1008825
Names:
InChIKey: ASFACGIBGAEFHS-UHFFFAOYSA-N
SMILES: Fc1ccccc1c3nc2ccccc2[nH]3

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008825 Edit

Molecule Structure InChIKey: ASFACGIBGAEFHS-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc1ccccc1c3nc2ccccc2[nH]3

Download SDF Download SVG Structure in 2D SDF:

FYI-1008825
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    6.7406    1.4959    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    4.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    5.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    4.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    1.5035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  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  2  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 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 16  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008825-3D
FYIcenter.com

 25 27  0     0  0  0  0  0  0999 V2000
    1.7844   -2.1333    0.4775 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6410    1.1479    0.2879 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5581   -0.9743   -0.3672 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9479    0.7442    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1508    0.0871   -0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8694   -0.5837   -0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5909    0.1770   -0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1549    1.4063    0.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0556   -1.3096   -0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641   -0.9524    0.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2094    1.3979   -0.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3256    0.6688    0.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2790   -0.6651   -0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7559   -0.8607    0.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6013    1.4895   -0.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3746    0.3603   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3328    2.0664    0.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1884    2.4416    0.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0301   -2.3463   -0.7431 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6379    2.2942   -0.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2897    1.1436    0.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2060   -1.2123   -0.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3579   -1.7400    0.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0834    2.4393   -0.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4584    0.4314   -0.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 17  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-29, 1876👍, 0💬