Molecule FYI-1007105

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Molecule Summary:

ID: FYI-1007105
Names:
InChIKey: ITQTTZVARXURQS-UHFFFAOYSA-N
SMILES: Cc1cccnc1

Received at FYIcenter.com on: 2024-01-30

Molecule ID: FYI-1007105 Edit

Molecule Structure InChIKey: ITQTTZVARXURQS-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cccnc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007105
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7335    0.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007105-3D
FYIcenter.com

 14 14  0     0  0  0  0  0  0999 V2000
    1.1215   -1.2018    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9780   -0.0030   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2949    1.2081   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4648   -0.0443    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2301   -1.1694   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0956    1.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7507   -0.0052    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8351    2.1507    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8828    0.8100   -0.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8358   -0.9500   -0.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8417   -0.0253    1.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7056   -2.1454    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6490    2.1478    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8347   -0.0537    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
M  END
$$$$

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2024-02-11, 1297👍, 0💬