Molecule FYI-1007199

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Molecule Summary:

ID: FYI-1007199
Names:
InChIKey: XPFRTICCNRDEAK-UHFFFAOYSA-N
SMILES: O=c1ccc3cccc2CCn1c23

Received at FYIcenter.com on: 2024-02-07

Molecule ID: FYI-1007199 Edit

Molecule Structure InChIKey: XPFRTICCNRDEAK-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c1ccc3cccc2CCn1c23

Download SDF Download SVG Structure in 2D SDF:

FYI-1007199
FYIcenter.com

 13 15  0  0  0  0  0  0  0  0999 V2000
    4.5631    4.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3794    4.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1957    4.1004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1957    2.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0120    2.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0120    0.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1957    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3794    0.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3794    2.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5631    2.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9082    4.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3795    6.1838    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  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
  9  4  2  0  0  0  0
 10  9  1  0  0  0  0
 10  1  2  0  0  0  0
  3 11  1  0  0  0  0
  5 12  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007199-3D
FYIcenter.com

 22 24  0     0  0  0  0  0  0999 V2000
   -3.2939    0.3517   -0.0018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0022    0.6689    0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2653    0.1048    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8689    2.1313   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6509    2.4368    0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2579    1.0686    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4915   -1.2562    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1491   -0.0931    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5785    0.6675   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6864   -2.1182    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8201   -1.6704   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9191   -1.5811    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8555   -0.7106   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3754    2.5364    0.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3657    2.5296   -0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9326    2.9939    0.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9390    3.0022   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3868    1.3906   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5450   -3.1929    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0744   -2.7269   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8003   -2.2138    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8899   -1.0461   -0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  2  0  0  0  0
 10 19  1  0  0  0  0
 11 13  2  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
$$$$

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2024-02-18, 173👍, 0💬