Molecule FYI-1009397

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A

Molecule Summary:

ID: FYI-1009397
Names:
InChIKey: URMCVPKJQNWGQG-UHFFFAOYSA-N
SMILES: OCC2=CC1N=CC=CC1N2

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009397 Edit

Molecule Structure InChIKey: URMCVPKJQNWGQG-UHFFFAOYSA-N

Molecule Structure SMILES String: OCC2=CC1N=CC=CC1N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009397
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    6.7407    2.8959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    3.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    1.5036    0.0000 N   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
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 11  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009397-3D
FYIcenter.com

 21 22  0  0  1  0  0  0  0  0999 V2000
    4.4215    1.2348   -0.5235 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7714   -0.0192   -0.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5692   -1.0715    0.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1325   -2.1303   -0.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7084   -3.2994    0.4714 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3292   -4.6261    0.3759 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8114   -5.3612    1.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9068   -4.8971    2.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9387   -3.5839    2.7485 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7904   -2.7067    1.8849 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2662   -1.3681    1.6395 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7895    1.8261   -0.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5278   -0.3593   -1.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8201    0.1215    0.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3574   -2.1965   -1.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6569   -3.4456    0.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0603   -6.4323    1.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3190   -5.6253    2.9822 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3650   -3.1603    3.5521 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8188   -2.6629    2.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7075   -0.6659    2.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1100👍, 0💬