Molecule FYI-1007178

A

Molecule Summary:

ID: FYI-1007178
Names:
InChIKey: UULCMMXFBQIOCA-FNORWQNLSA-N
SMILES: O=N(=O)c3ccc(/C=C/c2cc(O)c1ccccc1n2)c(F)c3

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

Molecule ID: FYI-1007178 Edit

Molecule Structure InChIKey: UULCMMXFBQIOCA-FNORWQNLSA-N

Molecule Structure SMILES String: O=N(=O)c3ccc(/C=C/c2cc(O)c1ccccc1n2)c(F)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007178
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    5.6001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    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
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007178-3D
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
    2.1066    1.2268    1.0714 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1591    0.2291    0.3385 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5980    0.1347   -0.7629 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9420   -0.9192    0.8046 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5890   -0.8549    2.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3388   -1.9467    2.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4661   -3.0992    1.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2376   -4.2661    2.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2973   -4.2031    2.9842 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0421   -5.3838    3.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1303   -5.2364    4.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7790   -6.3871    4.7185 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8589   -6.2923    5.5583 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3359   -7.6549    4.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9352   -8.8611    4.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4294  -10.0899    4.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3331  -10.1249    3.4594 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7491   -8.9302    3.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2250   -7.6953    3.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5989   -6.5882    3.0225 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871   -3.1455    0.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8570   -4.2419   -0.2950 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0319   -2.0681    0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5175    0.0285    2.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8107   -1.8848    3.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9074   -5.2290    1.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6576   -3.2504    3.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4530   -4.2540    4.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0406   -5.3581    5.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947   -8.8377    5.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8871  -11.0134    4.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9259  -11.0756    3.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8920   -8.9628    2.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5323   -2.1504   -0.9468 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  2  0  0  0  0
  5  6  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  2  0  0  0  0
  8  9  2  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  2  0  0  0  0
 11 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 34  1  0  0  0  0
M  END
$$$$

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2024-02-18, 826👍, 0💬