Molecule FYI-1001317

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A

Molecule Summary:

ID: FYI-1001317
SMILES: C1=CC(=CC=C1C2=NN=CO2)Cl

Received at FYIcenter.com on: 2022-05-15

Molecule ID: FYI-1001317 Edit

Molecule Structure SMILES String: C1=CC(=CC=C1C2=NN=CO2)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1001317
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.6406    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.4834    0.0000 Cl  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  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
 11 10  1  0  0  0  0
 11  7  1  0  0  0  0
 12  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001317-3D
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.7332    1.2075    0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3342    1.2111    0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3625    0.0056    0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3277   -1.2032   -0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7266   -1.2047   -0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4481   -0.0003   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9056   -0.0324   -0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7330   -1.0555   -0.0978 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0107   -0.5361   -0.0325 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8668    0.7603    0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5673    1.1643    0.1203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0819    0.0105    0.0177 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2573    2.1611    0.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2025    2.1559    0.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2122   -2.1465   -0.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2534   -2.1579   -0.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6266    1.5215    0.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-15, 672👍, 0💬