Molecule FYI-1003512

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Molecule Summary:

ID: FYI-1003512
Names:
InChIKey: XFKCWRFSPKYBHR-UHFFFAOYSA-N
SMILES: CNC.CCC

Received at FYIcenter.com on: 2023-06-24

Molecule ID: FYI-1003512 Edit

Molecule Structure InChIKey: XFKCWRFSPKYBHR-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC.CCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003512
FYIcenter.com

 10  8  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    2.6124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    0.1876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    1.2124    1.4000    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
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003512-3D
FYIcenter.com

 21 19  0  0  0  0  0  0  0  0999 V2000
    0.0449   -0.8291    1.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4494   -0.4668    1.4043 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1971   -1.1272    2.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9640    1.2408   -1.3511 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    0.6789   -1.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6479   -0.4278   -2.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3318   -0.7448    0.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5426   -0.1548    2.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1279   -1.8606    1.7111 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5393    0.5445    1.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1400   -2.2159    2.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8362   -0.8364    3.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2496   -0.8493    2.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7289    1.9293   -0.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    0.4469   -1.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8828    1.7905   -2.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4919    0.2752   -0.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0986    1.4800   -1.2944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9752   -1.2772   -2.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6761   -0.7852   -2.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5165   -0.0676   -3.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
M  END
$$$$

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2023-07-05, 1813👍, 0💬