Molecule FYI-1000298

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A

Molecule Summary:

ID: FYI-1000298
SMILES: NC(=O)c1cccncc1

Received at FYIcenter.com on: 2021-03-21

Molecule ID: FYI-1000298 Edit

Molecule Structure SMILES String: NC(=O)c1cccncc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000298
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.6175    1.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811    2.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6478    1.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8487    3.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8629    4.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7859    3.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1061    2.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1492    1.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5641    2.1567    0.0000 C   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000298-3D
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    3.1879   -0.7168   -0.9184 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5262    0.0450   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4425   -0.3113    0.4444 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2256    1.2971    0.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1392    1.9917   -0.4423 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.2267    2.8445   -0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2549    3.6206    1.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3209    3.8264    2.0133 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3258    3.0374    2.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8634    1.7654    1.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7609   -1.5934   -1.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1409   -0.5390   -1.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0574    1.7913   -1.5074 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0769    2.8756   -0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1423    4.2393    1.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6780    3.3534    3.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1320    1.2370    2.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  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  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
M  END
$$$$

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2022-05-31, 597👍, 0💬