Molecule FYI-1009161

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A

Molecule Summary:

ID: FYI-1009161
Names:
InChIKey: JHOUGYGAZAWNHU-UHFFFAOYSA-N
SMILES: O=C(O)c1cccn1Cc2cccc(O)c2

Received at FYIcenter.com on: 2024-05-03

Molecule ID: FYI-1009161 Edit

Molecule Structure InChIKey: JHOUGYGAZAWNHU-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c1cccn1Cc2cccc(O)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009161
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.7513    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5389    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3265    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3265    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5389    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7513    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5389    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1139    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9015    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857    2.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6857    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314    6.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    7.0756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264    0.0000    0.0000 H   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  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
  7 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009161-3D
FYIcenter.com

 27 28  0     0  0  0  0  0  0999 V2000
   -3.4591    1.7800    1.2264 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8633   -1.9661    1.2660 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1382   -2.2196   -0.1922 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3227    0.6805   -0.7074 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1984    0.1432   -1.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0760   -0.0848   -0.8299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1017   -0.0560    0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7135    1.9937   -0.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0037    0.7999    0.7390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6795    0.9668   -0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7582    2.0965    0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6644   -1.3496   -0.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8713    0.7537    0.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8561   -1.5627   -0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9665   -1.4647    0.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4598   -0.5110    0.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5965   -0.7508   -2.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0463    0.8937   -2.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    2.7440   -1.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7603    0.5344    1.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2368    1.9594   -0.1420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2845    3.0066    0.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2174   -2.1761   -1.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3161   -2.5466   -0.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3884   -0.6900    1.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2734    1.4548    1.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7483   -2.9322    1.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 26  1  0  0  0  0
  2 15  1  0  0  0  0
  2 27  1  0  0  0  0
  3 15  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8 11  2  0  0  0  0
  8 19  1  0  0  0  0
  9 11  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 16  2  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
$$$$

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2024-05-05, 1338👍, 0💬