Molecule FYI-1001348

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Molecule Summary:

ID: FYI-1001348
SMILES: c1cc(ccc1OCC[NH+]2CCCCC2)F

Received at FYIcenter.com on: 2022-06-01

Molecule ID: FYI-1001348 Edit

Molecule Structure SMILES String: c1cc(ccc1OCC[NH+]2CCCCC2)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1001348
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 16  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001348-3D
FYIcenter.com

 35 36  0  0  0  0  0  0  0  0999 V2000
   -1.2773    1.7961    0.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0633    2.0531    0.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4089    2.5833    2.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655    2.8558    2.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9098    2.6004    2.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2757    2.0731    1.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6249    1.8881    1.2474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0098    1.2623    0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5356    1.1059   -0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2683    2.4346    0.1827 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.9852    3.4320   -0.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7168    4.7376   -0.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2134    4.5145   -0.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4818    3.5090    0.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7543    2.1947    0.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6936    2.8349    2.2914 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4970    1.3798   -0.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8449    1.8444    0.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2710    3.2642    3.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6626    2.8117    3.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5604    0.2642   -0.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6803    1.8628   -0.8332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8539    0.4638    0.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8727    0.6773   -0.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8949    2.8292    1.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2983    2.9771   -1.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9090    3.6191   -0.9358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5305    5.4376   -1.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3190    5.2018    0.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6323    4.1454   -1.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7120    5.4639   -0.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5597    3.3244    0.6914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1653    3.9325    1.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1241    1.6966   -0.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8733    1.5262    1.2315 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 1637👍, 0💬