Molecule FYI-1007396

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Molecule Summary:

ID: FYI-1007396
Names:
InChIKey: JBIJLHTVPXGSAM-UHFFFAOYSA-N
SMILES: Nc2ccc1ccccc1c2

Received at FYIcenter.com on: 2024-02-19

Molecule ID: FYI-1007396 Edit

Molecule Structure InChIKey: JBIJLHTVPXGSAM-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2ccc1ccccc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007396
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    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  2  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
 11  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007396-3D
FYIcenter.com

 20 21  0     0  0  0  0  0  0999 V2000
   -3.4781   -0.7498   -0.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2395   -0.6243    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4562    0.7743    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0763   -1.1154    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6493    1.6405    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1628   -0.2402    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3449   -1.4905    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7719    1.2654   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9497    1.1351    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6453   -0.9852   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8584    0.3901   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2533   -2.1899    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5062    2.7191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2021   -2.5692    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9622    2.3367   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7882    1.8269   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916   -1.6660   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8710    0.7828   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2664   -0.1162    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6341   -1.7490    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  2  0  0  0  0
  4  6  2  0  0  0  0
  4 12  1  0  0  0  0
  5  9  2  0  0  0  0
  5 13  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
$$$$

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2024-02-28, 1285👍, 0💬