Molecule FYI-1004973

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A

Molecule Summary:

ID: FYI-1004973
Names:
InChIKey: GVJOYNDJFISGTG-UHFFFAOYSA-N
SMILES: O=Cc1c[nH]c2nccc(Br)c12

Received at FYIcenter.com on: 2023-10-05

Molecule ID: FYI-1004973 Edit

Molecule Structure InChIKey: GVJOYNDJFISGTG-UHFFFAOYSA-N

Molecule Structure SMILES String: O=Cc1c[nH]c2nccc(Br)c12

Download SDF Download SVG Structure in 2D SDF:

FYI-1004973
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.6407    4.0553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    4.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3756    1.9135    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    1.0403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004973-3D
FYIcenter.com

 17 18  0     0  0  0  0  0  0999 V2000
    0.0811   -2.9936   -0.0026 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6247   -0.3282    0.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1545    2.1282   -0.0011 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1063    1.2966   -0.0008 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0852   -0.0921    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7717    1.1186   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3001    0.2207    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4168    1.5938    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8510   -1.2690    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2390   -1.1423    0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7933    0.1307    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4315   -0.6633   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0610    3.1154   -0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2818    2.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8888   -2.0120    0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8738    0.2480   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2301   -1.7375   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 12  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-13, 1156👍, 0💬