Molecule FYI-1003533

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Molecule Summary:

ID: FYI-1003533
Names:
InChIKey: IEBOWSYQQIAQHO-UHFFFAOYSA-N
SMILES: CNc1ccc(CN)cc1

Received at FYIcenter.com on: 2023-06-28

Molecule ID: FYI-1003533 Edit

Molecule Structure InChIKey: IEBOWSYQQIAQHO-UHFFFAOYSA-N

Molecule Structure SMILES String: CNc1ccc(CN)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003533
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0526    3.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448    4.1967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6329    3.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6329    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2088    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2088    3.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209    4.2111    0.0000 C   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 10  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003533-3D
FYIcenter.com

 22 22  0     0  0  0  0  0  0999 V2000
   -2.7847   -0.3615   -0.0044 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5026    0.3374   -0.9324 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3915   -0.0120    0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3825   -0.2444    0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8743    0.1123    0.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8081   -1.2634    0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5878    1.1230    0.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5788   -1.3795   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7991    1.0068    0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6191    0.6813   -0.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1423    0.9309    1.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2959   -0.7967    0.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4230   -2.1554   -0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0303    2.1036    0.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -2.3603   -0.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3976    1.9083    0.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1542   -1.3067   -0.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2683    1.0338   -1.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6739    1.5279    0.1751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6390    0.3055   -0.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5119    0.4087   -0.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2014    1.2378   -1.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  1 17  1  0  0  0  0
  2  5  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  7  9  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
$$$$

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2023-07-08, 1517👍, 0💬