Molecule FYI-1005454

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Molecule Summary:

ID: FYI-1005454
Names:
InChIKey: RLYCRLGLCUXUPO-UHFFFAOYSA-N
SMILES: Cc1c(N)cccc1N

Received at FYIcenter.com on: 2023-10-29

Molecule ID: FYI-1005454 Edit

Molecule Structure InChIKey: RLYCRLGLCUXUPO-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1c(N)cccc1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1005454
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  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
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  1  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005454-3D
FYIcenter.com

 19 19  0     0  0  0  0  0  0999 V2000
   -2.4418   -0.7559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4421   -0.7554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080   -0.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080   -0.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002   -2.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2081    1.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2078    1.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0002    2.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001   -2.6404   -1.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8598   -2.6824    0.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8593   -2.6826    0.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1421    1.8827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1416    1.8831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003    3.1101    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4932   -1.7519   -0.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3012   -0.2211   -0.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4937   -1.7515   -0.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3013   -0.2204   -0.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  5  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
$$$$

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2023-11-06, 1279👍, 0💬