Molecule FYI-1014291

A

Molecule Summary:

ID: FYI-1014291
Names:
InChIKey: GWBVEDILOKMRQV-UHFFFAOYSA-N
SMILES: Cc1cc(C)n4c1C(c2ccc(O)cc2)=c3c(C)cc(C)[n+]3[B-]4(F)F

Received at FYIcenter.com on: 2025-03-24

Molecule ID: FYI-1014291 Edit

Molecule Structure InChIKey: GWBVEDILOKMRQV-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(C)n4c1C(c2ccc(O)cc2)=c3c(C)cc(C)[n+]3[B-]4(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1014291
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    9.6844    7.3099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0471    5.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347    4.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    5.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 24  2  0  0  0  0
 25  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014291-3D
FYIcenter.com

 44 47  0  0  0  0  0  0  0  0999 V2000
    2.7741   -3.2038   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034   -1.7542    0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3236   -0.7196    0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5998    0.4531    0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1877    1.8330    0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    0.1767    0.0237 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1348   -1.1681    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6948    2.3996    0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1929    2.0213   -1.1530 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3 29  1  0  0  0  0
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  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 16  2  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
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 23 25  1  0  0  0  0
M  END
$$$$

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2025-04-11, 842👍, 0💬