Molecule FYI-1002865

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A

Molecule Summary:

ID: FYI-1002865
Names:
InChIKey: VQGHOUODWALEFC-UHFFFAOYSA-N
SMILES: c2ccc(c1ccccn1)cc2

Received at FYIcenter.com on: 2023-04-25

Molecule ID: FYI-1002865 Edit

Molecule Structure InChIKey: VQGHOUODWALEFC-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc(c1ccccn1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002865
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.8498    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   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
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   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  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002865-3D
FYIcenter.com

 21 22  0     0  0  0  0  0  0999 V2000
    1.3321   -1.1455   -0.3102 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6944    0.0183    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7525    0.0319    0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4020    1.1794   -0.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3817   -1.1558    0.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4509    1.1855    0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7968    1.1666   -0.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7766   -1.1686    0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4840   -0.0074   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8400    1.1267    0.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4761   -0.0668   -0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6839   -1.1642   -0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9084    2.1083   -0.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8616   -2.0751    0.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9736    2.1181    0.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3483    2.0688   -0.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3123   -2.0820    0.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5700   -0.0177   -0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4263    2.0074    0.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5577   -0.1360   -0.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1311   -2.1185   -0.5739 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 12  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  2  0  0  0  0
  5 14  1  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
$$$$

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2023-05-09, 2532👍, 0💬