Molecule FYI-1010735

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A

Molecule Summary:

ID: FYI-1010735
Names:
InChIKey: KNMQPOUMCGCUCF-UHFFFAOYSA-N
SMILES: CC13CC2CC(N)(C1)CC(I)(C2)C3

Received at FYIcenter.com on: 2024-07-09

Molecule ID: FYI-1010735 Edit

Molecule Structure InChIKey: KNMQPOUMCGCUCF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC13CC2CC(N)(C1)CC(I)(C2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1010735
FYIcenter.com

 13 15  0  0  0  0  0  0  0  0999 V2000
    3.5838    3.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6118    2.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4894    2.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9324    1.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4543    0.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6118    0.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1730    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1730    1.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7410    4.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1798    5.1843    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0402    3.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8635    4.2123    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  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  1  0  0  0  0
 13  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010735-3D
FYIcenter.com

 31 33  0  0  1  0  0  0  0  0999 V2000
    1.0236   -0.0383   -0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5551   -0.0397   -0.0743 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0923    0.8342    1.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6297    0.8373    1.0858 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1404    1.3986   -0.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6326    0.5286   -1.4207 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1316    1.0678   -2.6843 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0882    0.5246   -1.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1437   -0.9163   -1.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6328   -1.4867    0.1049 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3515   -3.5078    0.3624 I   0  0  0  0  0  0  0  0  0  0  0  0
    5.1416   -0.6020    1.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0884   -1.4813    0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    0.9761   -0.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6290   -0.4360    0.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6270   -0.6539   -0.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7229    0.4582    2.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7223    1.8629    0.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9947    1.4610    1.9096 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2381    1.4275   -0.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7993    2.4361   -0.3676 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7777    2.0137   -2.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7789    0.5152   -3.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7070   -0.0778   -2.2487 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7067    1.5440   -1.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2424   -0.9328   -1.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8048   -1.5458   -2.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2390   -0.5991    1.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8018   -0.9950    2.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046   -1.9051    1.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7051   -2.1209   -0.7033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
M  END
$$$$

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