Molecule FYI-1002097

Home > Molecule

A

Molecule Summary:

ID: FYI-1002097
Names:
InChIKey: FZERHIULMFGESH-UHFFFAOYSA-N
SMILES: CC(=O)Nc1ccccc1

Received at FYIcenter.com on: 2023-01-29

Molecule ID: FYI-1002097 Edit

Molecule Structure InChIKey: FZERHIULMFGESH-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)Nc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002097
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   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
    4.8498    0.7000    0.0000 O   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
    2.4249    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
    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
    1.2125    0.0000    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
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  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
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002097-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
    2.2892    1.3289    0.0015 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1479   -0.7341    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1984   -0.3677    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5543    0.9810   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1883   -1.3502    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9003    1.3471   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5344   -0.9842    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8903    0.3645   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2721    0.1023   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5568   -0.6877   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1541    1.7975   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9256   -2.4051    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250   -1.7365    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1789    2.3970   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3053   -1.7491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9383    0.6495   -0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6172   -1.2946    0.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4113   -0.0061   -0.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5924   -1.3386   -0.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  2  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-19, 715👍, 0💬