Molecule FYI-1014883

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A

Molecule Summary:

ID: FYI-1014883
Names:
InChIKey: UJOBWOGCFQCDNV-UHFFFAOYSA-N
SMILES: c1ccc3c(c1)[nH]c2ccccc23

Received at FYIcenter.com on: 2025-06-04

Molecule ID: FYI-1014883 Edit

Molecule Structure InChIKey: UJOBWOGCFQCDNV-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccc3c(c1)[nH]c2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1014883
FYIcenter.com

 13 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.7000    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
    1.2125    2.8000    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
    2.4249    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
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9716    1.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5410    2.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    3.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3258    3.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    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
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  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
 13  4  1  0  0  0  0
 13  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014883-3D
FYIcenter.com

 22 24  0     0  0  0  0  0  0999 V2000
    0.0000    1.6351    0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7155   -0.4768    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7156   -0.4768    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1320    0.8546    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1320    0.8547    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6969   -1.4903    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6968   -1.4904    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4814    1.2258   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4814    1.2258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0504   -1.1348   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0504   -1.1348   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4347    0.2039   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4346    0.2040   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    2.6458    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4130   -2.5389    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4130   -2.5390    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7814    2.2684   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7814    2.2683   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8088   -1.9132   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8088   -1.9132   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4913    0.4591   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4913    0.4591   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  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  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  2  0  0  0  0
 10 19  1  0  0  0  0
 11 13  2  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
$$$$

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2025-06-21, 658👍, 0💬