Molecule FYI-1008386

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Molecule Summary:

ID: FYI-1008386
Names:
InChIKey: VYCKDIRCVDCQAE-UHFFFAOYSA-N
SMILES: Nc2cc1ccccc1cn2

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008386 Edit

Molecule Structure InChIKey: VYCKDIRCVDCQAE-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2cc1ccccc1cn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008386
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 N   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
    3.6373    2.8000    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
    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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008386-3D
FYIcenter.com

 19 20  0     0  0  0  0  0  0999 V2000
    1.9633   -1.1233   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4336    0.7485   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2388    0.6310    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4422   -0.7645    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0709    1.1249    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3545    1.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7487   -1.2800    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6908   -1.5806    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1196    0.2177    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6487    0.9606   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8453   -0.4183   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2594    2.1954    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2249    2.5643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9202   -2.3540    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6049   -2.6638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5038    1.6305   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8532   -0.8230   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5861    1.6572   -0.4203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1971    0.0835   -0.0066 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
$$$$

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2024-07-11, 2103👍, 0💬