Molecule FYI-1008030

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A

Molecule Summary:

ID: FYI-1008030
Names:
InChIKey: DZBUGLKDJFMEHC-UHFFFAOYSA-N
SMILES: c3ccc2nc1ccccc1cc2c3

Received at FYIcenter.com on: 2024-04-08

Molecule ID: FYI-1008030 Edit

Molecule Structure InChIKey: DZBUGLKDJFMEHC-UHFFFAOYSA-N

Molecule Structure SMILES String: c3ccc2nc1ccccc1cc2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1008030
FYIcenter.com

 14 16  0  0  0  0  0  0  0  0999 V2000
    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 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
    1.2124    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 N   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
    4.8497    4.9000    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
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    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
  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
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  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
 14  1  1  0  0  0  0
 14  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008030-3D
FYIcenter.com

 23 25  0     0  0  0  0  0  0999 V2000
    0.0000    1.3612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2147   -0.7157   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147   -0.7158   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1671    0.6886   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1671    0.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4089   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   -1.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4500   -1.3867    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3731    1.3844   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3731    1.3845    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6415   -0.6676    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416   -0.6676    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6026    0.7208    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025    0.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4982   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4900   -2.4737    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4901   -2.4737    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3692    2.4729   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3690    2.4730    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5940   -1.1883    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5941   -1.1882    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5265    1.2917    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5265    1.2918    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 15  1  0  0  0  0
  7 11  2  0  0  0  0
  7 16  1  0  0  0  0
  8 12  1  0  0  0  0
  8 17  1  0  0  0  0
  9 13  2  0  0  0  0
  9 18  1  0  0  0  0
 10 14  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
$$$$

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2024-07-25, 1097👍, 0💬