Molecule FYI-1006343

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Molecule Summary:

ID: FYI-1006343
Names:
InChIKey: OHFXUPDPPRJZES-UHFFFAOYSA-N
SMILES: C1=NCNCC1

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006343 Edit

Molecule Structure InChIKey: OHFXUPDPPRJZES-UHFFFAOYSA-N

Molecule Structure SMILES String: C1=NCNCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006343
FYIcenter.com

  6  6  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    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  3  1  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006343-3D
FYIcenter.com

 14 14  0     0  0  0  0  0  0999 V2000
    1.0198   -0.9261   -0.3246 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3922   -0.3554    0.0404 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3712    0.3414    0.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3604    1.3953   -0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3059   -1.3390    0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0533    0.8838   -0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3742    0.6478   -0.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    0.2329    1.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403    1.7313   -1.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4364    2.2736    0.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7043   -1.6381   -0.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2417   -1.6726    1.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6006   -2.2165   -0.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8513    1.6394   -0.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
$$$$

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2023-12-29, 1208👍, 0💬