Molecule FYI-1004380

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A

Molecule Summary:

ID: FYI-1004380
Names:
InChIKey: HAXZTXNNIBGUQC-UHFFFAOYSA-N
SMILES: N#CC2CC(c1ccccc1)C2

Received at FYIcenter.com on: 2023-09-04

Molecule ID: FYI-1004380 Edit

Molecule Structure InChIKey: HAXZTXNNIBGUQC-UHFFFAOYSA-N

Molecule Structure SMILES String: N#CC2CC(c1ccccc1)C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004380
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.2654    4.7521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3066    3.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7058    3.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6746    4.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3316    2.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    2.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3817    0.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7384    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7133    1.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6233    5.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6335    6.7507    0.0000 N   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
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  2  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  5  6  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004380-3D
FYIcenter.com

 23 24  0     0  0  0  0  0  0999 V2000
    4.4499    0.2275    1.1852 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4478   -0.1939   -0.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4638    0.9487   -0.6203 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -1.1295   -0.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712   -0.1328   -0.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0311   -0.0722   -0.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6129    0.0670    0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7540   -1.2218   -0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6104    1.1852   -0.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0562   -1.1142    0.4394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9126    1.2930    0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6355    0.1432    0.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4216   -0.4175   -1.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3006    1.4652    0.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    1.6989   -1.4099 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5513   -2.1340   -0.6087 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2782   -1.2195    0.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9751   -0.3438   -1.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3133   -2.2061   -0.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0650    2.0904   -0.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6195   -2.0094    0.6864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3645    2.2719    0.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6497    0.2272    0.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  3  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  2  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
$$$$

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2023-09-16, 1724👍, 0💬