Molecule FYI-1006344

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A

Molecule Summary:

ID: FYI-1006344
Names:
InChIKey: VIJRUNWGENCGPY-UHFFFAOYSA-N
SMILES: C1=NCNCC1Cc2ccccc2

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

Molecule ID: FYI-1006344 Edit

Molecule Structure InChIKey: VIJRUNWGENCGPY-UHFFFAOYSA-N

Molecule Structure SMILES String: C1=NCNCC1Cc2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006344
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6376    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    6.2998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    6.2998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7001    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    0.6999    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006344-3D
FYIcenter.com

 27 28  0  0  1  0  0  0  0  0999 V2000
   -0.4209   -1.3597   -0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4654   -0.6320   -0.1031 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3401    0.8096   -0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0489    1.3583   -0.4841 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1163    0.6244   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0137   -0.8985    0.0010 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7037   -1.5089    1.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1899   -1.2353    1.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6817   -0.5332    2.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0466   -0.2428    2.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9488   -0.7028    1.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4785   -1.4615    0.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1159   -1.7136    0.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5718   -2.4565   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6807    1.2103    0.8321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0484    1.1834   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0055    2.2968   -0.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4066    1.0045    0.9597 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9322    0.8855   -0.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4730   -1.3127   -0.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5689   -2.5994    1.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1766   -1.1599    2.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0132   -0.2034    3.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4095    0.3365    3.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0096   -0.4846    1.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1895   -1.8548   -0.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7786   -2.3103   -0.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
$$$$

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2023-12-29, 263👍, 0💬