Molecule FYI-1004427

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A

Molecule Summary:

ID: FYI-1004427
Names:
InChIKey: QRUDEWIWKLJBPS-UHFFFAOYSA-N
SMILES: c2ccc1n[nH]nc1c2

Received at FYIcenter.com on: 2023-09-05

Molecule ID: FYI-1004427 Edit

Molecule Structure InChIKey: QRUDEWIWKLJBPS-UHFFFAOYSA-N

Molecule Structure SMILES String: c2ccc1n[nH]nc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004427
FYIcenter.com

  9 10  0  0  0  0  0  0  0  0999 V2000
    0.2911    4.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    0.4326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1947    1.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    3.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6225    4.5714    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  1  0  0  0  0
  7  6  2  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004427-3D
FYIcenter.com

 14 15  0     0  0  0  0  0  0999 V2000
    1.5665   -1.1527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5663    1.1528    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2405    0.0001   -0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2899   -0.7349    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2898    0.7350    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9008   -1.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9012    1.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0754   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0756    0.7101   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9229   -2.5673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9233    2.5673   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0355   -1.2248   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0357    1.2244   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2540    0.0002   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
$$$$

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2023-09-16, 1745👍, 0💬