Molecule FYI-1006739

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A

Molecule Summary:

ID: FYI-1006739
Names:
InChIKey: LWEOTFCVNBWNSE-UHFFFAOYSA-N
SMILES: Nc2cccc(C(O)c1cccc(N)c1)c2

Received at FYIcenter.com on: 2024-01-12

Molecule ID: FYI-1006739 Edit

Molecule Structure InChIKey: LWEOTFCVNBWNSE-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2cccc(C(O)c1cccc(N)c1)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006739
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.8498    3.5000    0.0000 C   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
    6.0622    1.4000    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
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   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
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 N   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
  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  1  0  0  0  0
  7  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 16 10  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006739-3D
FYIcenter.com

 30 31  0     0  0  0  0  0  0999 V2000
    0.2652    1.4853    2.0511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0919   -1.8341   -0.4673 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9620    1.3353   -1.3167 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0291    0.2321    1.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2484    0.3103    0.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2240   -0.1952    0.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0954   -0.7925    0.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0152    0.7609    0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5415    1.4866   -0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5797   -1.5429    0.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2356   -0.7190   -0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1621    0.3691   -0.6718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6817    1.5601   -0.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7264   -1.9346   -0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5287    0.4574   -1.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5176   -0.9787   -0.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1998   -0.4695    2.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8674   -1.7108    0.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7440    1.8136    0.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8938    2.3566   -0.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9714   -2.2976    1.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9091    2.4755   -1.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0031   -2.9840   -0.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4138    0.5272   -1.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4087   -1.2968   -1.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5592    1.8200    2.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9192   -1.7807   -1.0465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8808   -2.6871    0.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7940    1.0516   -1.8167 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7055    2.3128   -1.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 26  1  0  0  0  0
  2 11  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 12  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  8 12  1  0  0  0  0
  8 19  1  0  0  0  0
  9 13  2  0  0  0  0
  9 20  1  0  0  0  0
 10 14  2  0  0  0  0
 10 21  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
$$$$

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2024-01-24, 2151👍, 0💬