Molecule FYI-1007179

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A

Molecule Summary:

ID: FYI-1007179
Names:
InChIKey: ACNUAHLVPYNHLQ-VMPITWQZSA-N
SMILES: Oc3ccc(/C=C/c2cc(O)c1ccccc1n2)cc3

Received at FYIcenter.com on: 2024-02-06

Molecule ID: FYI-1007179 Edit

Molecule Structure InChIKey: ACNUAHLVPYNHLQ-VMPITWQZSA-N

Molecule Structure SMILES String: Oc3ccc(/C=C/c2cc(O)c1ccccc1n2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007179
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 17 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007179-3D
FYIcenter.com

 33 35  0     0  0  0  0  0  0999 V2000
    3.6549    2.6901   -0.4219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0813   -0.1162    0.0963 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3680   -0.5762    0.2438 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7550   -0.7557    0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5932    0.3482   -0.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7802    0.6620    0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9781    1.6902   -0.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4952    1.7797   -0.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3289   -2.0226    0.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9792    0.1916   -0.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6589    0.7417    0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7137   -2.1821    0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5358   -1.0783    0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9366   -0.2206   -0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4654   -0.2585   -0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5718    0.6976    0.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6943   -1.1039   -0.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9646    0.7327    0.8004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0871   -1.0690   -0.8046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7223   -0.1507    0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7945   -1.3791    0.4666 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0451    2.7598   -0.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7033   -2.8938    0.4919 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6347    1.0393   -0.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0567    1.6982    0.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1523   -3.1692    0.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6124   -1.2087   -0.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0599   -1.1853   -0.5722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0235    1.3893    1.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2166   -1.8258   -1.5297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4478    1.4495    1.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6720   -1.7593   -1.4063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3493    0.5782    0.7225 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2 20  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  1  0  0  0  0
  9 23  1  0  0  0  0
 10 13  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  2  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 18  1  0  0  0  0
 16 29  1  0  0  0  0
 17 19  2  0  0  0  0
 17 30  1  0  0  0  0
 18 20  2  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
$$$$

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2024-02-18, 196👍, 0💬