Molecule FYI-1006364

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A

Molecule Summary:

ID: FYI-1006364
Names:
InChIKey: OZZSNFLVYHBCOL-UHFFFAOYSA-N
SMILES: Oc1ccc(Br)cc1CN2CCNCC2

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

Molecule ID: FYI-1006364 Edit

Molecule Structure InChIKey: OZZSNFLVYHBCOL-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc1ccc(Br)cc1CN2CCNCC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006364
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2125    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 N   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
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14  4  1  0  0  0  0
 15 14  1  0  0  0  0
 15  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006364-3D
FYIcenter.com

 30 31  0     0  0  0  0  0  0999 V2000
    3.9936    2.4157    0.1869 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5886   -2.5518   -0.3025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5496   -0.1893    0.2921 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1011    0.9182   -0.5224 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8106   -0.6898    0.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6788    1.2226   -0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9624   -0.4870   -0.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8375    1.4143   -1.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4502   -0.3729    1.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8903   -0.3331    0.5532 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461   -1.4253   -0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6789    0.8121    0.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5905   -1.3722   -0.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9232    0.8652    0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3790   -0.2268   -0.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0422   -0.1855    1.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7254   -1.7627    1.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7689    1.5762   -0.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8389    1.8564    0.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8118   -1.1087   -1.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8974   -0.8174    0.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9462    2.4811   -1.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6185    0.9085   -2.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5278   -1.3515    1.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4955    0.3579    2.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8360    1.0069   -1.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3223    1.6631    1.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9581   -2.2158   -1.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3463   -0.2017   -1.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655   -3.1995   -0.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 11  1  0  0  0  0
  2 30  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 27  1  0  0  0  0
 13 15  2  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
$$$$

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2023-12-29, 368👍, 0💬