Molecule FYI-1003883

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A

Molecule Summary:

ID: FYI-1003883
Names:
InChIKey: XAXIMODZZMQDOF-UHFFFAOYSA-N
SMILES: FC(F)(F)Oc3ccc(c2ccc1ncccc1c2)cc3

Received at FYIcenter.com on: 2023-08-03

Molecule ID: FYI-1003883 Edit

Molecule Structure InChIKey: XAXIMODZZMQDOF-UHFFFAOYSA-N

Molecule Structure SMILES String: FC(F)(F)Oc3ccc(c2ccc1ncccc1c2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003883
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
   10.3995    7.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995    5.0876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  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  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
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  2  0  0  0  0
 19 10  1  0  0  0  0
 20  9  1  0  0  0  0
 21 20  2  0  0  0  0
 21  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003883-3D
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    3.0240   -0.8481   -0.1361 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2497    0.1892   -0.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5804   -0.1549   -1.6427 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3441    0.3974    0.4617 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9654    1.4018   -0.7307 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2957    1.3614   -1.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0027    0.2543   -1.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3809    0.3496   -1.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0819    1.5673   -1.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4698    1.6127   -2.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7547    0.8189   -3.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0352    0.6996   -3.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0875    1.4018   -3.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2843    1.2220   -3.8195 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3192    1.9333   -3.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2080    2.8393   -2.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9581    3.0071   -1.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8441    2.2749   -2.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5347    2.3632   -1.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3619    2.6854   -1.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9849    2.5796   -0.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5386   -0.7060   -1.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8940   -0.5660   -1.9573 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9636    0.2646   -3.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2014    0.0400   -4.6223 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2680    1.7447   -3.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0782    3.3988   -1.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8619    3.7191   -0.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3734    3.0092   -0.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8337    3.6597   -1.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4380    3.4636   -0.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  2  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  2  0  0  0  0
 10 11  1  0  0  0  0
 10 19  2  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 26  1  0  0  0  0
 16 17  2  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 19 29  1  0  0  0  0
 20 21  1  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1414👍, 0💬