Molecule FYI-1007220

A

Molecule Summary:

ID: FYI-1007220
Names:
InChIKey: QSQFFXGMDOUWPF-FSJBWODESA-N
SMILES: O=C(c1ccccc1)c2cc(Cl)ccc2/N=C/c3cc(F)ccc3O

Received at FYIcenter.com on: 2024-02-08

Molecule ID: FYI-1007220 Edit

Molecule Structure InChIKey: QSQFFXGMDOUWPF-FSJBWODESA-N

Molecule Structure SMILES String: O=C(c1ccccc1)c2cc(Cl)ccc2/N=C/c3cc(F)ccc3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007220
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9  4  2  0  0  0  0
 10  3  2  0  0  0  0
 11  2  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
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 17 16  1  0  0  0  0
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 19 18  2  0  0  0  0
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 20 14  2  0  0  0  0
 21 20  1  0  0  0  0
 22 11  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 24  1  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007220-3D
FYIcenter.com

 38 40  0  0  0  0  0  0  0  0999 V2000
    1.9076   -0.3352   -1.1103 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.3098    0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5082   -1.3521    0.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0742   -1.7812    2.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3654   -2.6538    2.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1121   -3.1307    2.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4197   -2.7518    1.3423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2733   -1.8646    0.5247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9428    0.7860    0.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5081    1.2902    1.9635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2851    2.2095    2.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7959    2.7173    4.2272 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4681    2.6847    2.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8661    2.2444    0.8403 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1105    1.3028    0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6218    0.8782   -1.1207 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8883    1.1515   -2.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213    0.6896   -3.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3966   -0.0284   -3.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6872   -0.4525   -5.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8198   -1.1274   -5.2783 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8232   -0.1874   -6.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    0.5103   -5.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3408    0.9504   -4.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1844    1.6457   -4.3595 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0514   -1.4293    2.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7834   -2.9535    3.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4374   -3.8063    3.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3832   -3.1401    1.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1570   -1.5583   -0.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5746    0.9492    2.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0869    3.3899    2.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7884    2.6280    0.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9492    1.7270   -2.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0809   -0.2621   -2.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0807   -0.5279   -7.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9661    0.7052   -6.7038 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6388    1.6329   -5.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  2  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  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
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 24  2  0  0  0  0
 19 20  2  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 25 38  1  0  0  0  0
M  END
$$$$

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2024-02-18, 170👍, 0💬