Molecule FYI-1007702

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A

Molecule Summary:

ID: FYI-1007702
Names:
InChIKey: UVTWRZLFITXNLV-UHFFFAOYSA-N
SMILES: Brc3ccc2[nH]cc(Cc1ccccc1)c2c3

Received at FYIcenter.com on: 2024-03-13

Molecule ID: FYI-1007702 Edit

Molecule Structure InChIKey: UVTWRZLFITXNLV-UHFFFAOYSA-N

Molecule Structure SMILES String: Brc3ccc2[nH]cc(Cc1ccccc1)c2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007702
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    3.5552    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4919    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8613    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7981    1.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.3336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    5.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0593    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  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
 10  9  1  0  0  0  0
 11 10  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  2  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 17  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007702-3D
FYIcenter.com

 29 31  0     0  0  0  0  0  0999 V2000
   -3.4465   -3.1910   -0.2333 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4747    2.4513    0.4077 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1080    1.1051   -0.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2568    0.3566   -0.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0555    0.6045   -1.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0983    1.2245    0.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2714    2.3891   -0.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1741    0.0393   -0.6062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6629   -0.9800   -0.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3303    0.8208    0.8976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8927   -1.3979    0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7119   -0.5098    0.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0707    0.9009    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3031   -1.3405   -0.4475 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0963    0.3827    0.8167 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3287   -1.8587    0.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2252   -0.9971    0.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4737    1.4110   -2.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7347   -0.1572   -2.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3588    3.2648   -0.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8514    3.2778    0.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0257   -1.6734   -1.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9687    1.5116    1.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6671   -0.8391    1.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9826    1.9777   -0.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6120   -2.0233   -0.9341 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7947    1.0534    1.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4292   -2.9330    0.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0238   -1.4007    1.5910 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 10  1  0  0  0  0
  7 20  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 22  1  0  0  0  0
 10 12  2  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 181👍, 0💬