Molecule FYI-1008915

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A

Molecule Summary:

ID: FYI-1008915
Names:
InChIKey: ZNWRDDRXQOKOLM-UHFFFAOYSA-N
SMILES: CC(C)c1cc(=O)[nH]cn1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008915 Edit

Molecule Structure InChIKey: ZNWRDDRXQOKOLM-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)c1cc(=O)[nH]cn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008915
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   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 N   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008915-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
   -2.8186   -1.2744   -0.0023 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3016    1.1991    0.0018 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0511    0.9002    0.0029 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9788   -0.5994   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5509   -0.1524   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6892   -0.1051   -1.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7010   -0.1177    1.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4798   -1.0145   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9889    1.6423    0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8831   -0.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0216   -1.6967   -0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7710    0.9869   -1.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1647   -0.4316   -2.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7068   -0.5093   -1.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1843   -0.4547    2.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7799    0.9742    1.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7196   -0.5204    1.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0861    1.8404    0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3486   -2.0901   -0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0700    2.7404    0.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
  3  9  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1405👍, 0💬