Molecule FYI-1010139

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A

Molecule Summary:

ID: FYI-1010139
Names:
InChIKey: GGUOCFNAWIODMF-UHFFFAOYSA-N
SMILES: CC(=O)Nc1ccc(Cl)cc1

Received at FYIcenter.com on: 2024-05-29

Molecule ID: FYI-1010139 Edit

Molecule Structure InChIKey: GGUOCFNAWIODMF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)Nc1ccc(Cl)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1010139
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    7.2746    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
    4.8497    2.8000    0.0000 N   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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  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  7  1  0  0  0  0
 11  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010139-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
    4.1752    0.4840    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6197    1.4200   -0.0019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6087   -0.7099    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2423   -0.4278    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1964    0.8962    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6849   -1.4699   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    1.1782    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0510   -1.1878   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4898    0.1362   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6789    0.1947    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0101   -0.5141    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4602    1.7550    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -2.5064   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8478   -1.6994   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8913    2.2145    0.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7622   -2.0099   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1076   -1.1165   -0.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8206    0.2194    0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0866   -1.1611    0.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  6 13  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1121👍, 0💬