Molecule FYI-1005672

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A

Molecule Summary:

ID: FYI-1005672
Names:
InChIKey: HYJBSQLFQYYOHG-UHFFFAOYSA-N
SMILES: Brc1ccccc1Cn4nc(c2ccco2)c3ccccc34

Received at FYIcenter.com on: 2023-11-10

Molecule ID: FYI-1005672 Edit

Molecule Structure InChIKey: HYJBSQLFQYYOHG-UHFFFAOYSA-N

Molecule Structure SMILES String: Brc1ccccc1Cn4nc(c2ccco2)c3ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005672
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    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
    6.0623    2.8000    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
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    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
    8.4871    2.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    9.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373   10.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373   10.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047    9.2229    0.0000 C   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
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
  9 22  2  0  0  0  0
  9 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005672-3D
FYIcenter.com

 35 38  0  0  0  0  0  0  0  0999 V2000
    2.4986    2.3689    2.1742 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7065    3.8303    1.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1858    5.1081    1.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7027    6.2349    0.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7512    6.0913   -0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2695    4.8228   -0.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7183    3.6673    0.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630    2.3238   -0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2883    2.2209    0.0113 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0908    2.6032   -1.0110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3167    2.2273   -0.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5275    2.4427   -1.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5467    2.9835   -2.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8942    2.9652   -3.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6210    2.4326   -2.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8057    2.1104   -1.1039 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2977    1.5809    0.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2515    0.9556    1.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8325    0.3600    2.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4943    0.4041    3.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5331    1.0327    2.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9610    1.5995    1.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9437    5.2321    2.3504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0759    7.2214    1.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3824    6.9649   -0.6124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4702    4.7399   -1.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5986    1.4823    0.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3843    2.1500   -1.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6798    3.3312   -3.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2856    3.2957   -4.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6701    2.2210   -1.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2969    0.9138    1.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5609   -0.1468    3.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1896   -0.0650    3.9845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4948    1.0587    2.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
$$$$

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2023-11-23, 1776👍, 0💬