Molecule FYI-1002012

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Molecule Summary:

ID: FYI-1002012
Names:
InChIKey: JUJWROOIHBZHMG-UHFFFAOYSA-N
SMILES: c1ccncc1

Received at FYIcenter.com on: 2023-01-18

Molecule ID: FYI-1002012 Edit

Molecule Structure InChIKey: JUJWROOIHBZHMG-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccncc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1002012
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0738    2.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1184    3.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    4.3261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319    3.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7762    2.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0709    4.2333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7794    4.2331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    1.4401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002012-3D
FYIcenter.com

 11 11  0     0  0  0  0  0  0999 V2000
   -1.4026   -0.0003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3927    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6945    1.2027    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6950   -1.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6900    1.1487   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6896   -1.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4786    0.0004   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2175    2.1521    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184   -2.1517   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2813    2.0585   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2804   -2.0590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
$$$$

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2023-01-18, 2956👍, 0💬