Molecule FYI-1010690

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Molecule Summary:

ID: FYI-1010690
Names:
InChIKey: NAFCTXVXMUDIFW-UHFFFAOYSA-N
SMILES: CC1C=NNC1

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

Molecule ID: FYI-1010690 Edit

Molecule Structure InChIKey: NAFCTXVXMUDIFW-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1C=NNC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1010690
FYIcenter.com

  6  6  0  0  0  0  0  0  0  0999 V2000
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010690-3D
FYIcenter.com

 14 14  0     1  0  0  0  0  0999 V2000
    1.3776   -0.6400    0.0168 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3607    0.7057    0.1757 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7973   -0.0340   -0.4323 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0344   -1.2107    0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1269    0.1066    0.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515    1.0723   -0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9344   -0.0426   -1.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250   -1.5043    1.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0562   -2.0825   -0.6034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    0.2157    1.3621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6592    0.9967   -0.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7606   -0.7667    0.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1752    2.1221   -0.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0081   -1.0845    0.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1 14  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
M  END
$$$$

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2024-07-25, 1345👍, 0💬