Molecule FYI-1006265

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Molecule Summary:

ID: FYI-1006265
Names:
InChIKey: ADVGKWPZRIDURE-UHFFFAOYSA-N
SMILES: CC(=O)Nc1ccccc1O

Received at FYIcenter.com on: 2023-12-07

Molecule ID: FYI-1006265 Edit

Molecule Structure InChIKey: ADVGKWPZRIDURE-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)Nc1ccccc1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006265
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 O   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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006265-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
   -0.9705    2.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4665   -1.4012   -0.0021 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1915    0.5816    0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1288    0.1255    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1928    1.0274   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3779   -1.2470    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5059    0.5569   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6910   -1.7175    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7551   -0.8156   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3675   -0.1783    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5966    0.6958    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3880   -2.0092    0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2980    1.5940    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3447    1.2479   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8866   -2.7860    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7774   -1.1821   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6153    1.3063   -0.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4947    0.0726    0.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5895    1.3466    0.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8257    2.8358   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 20  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

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2023-12-14, 356👍, 0💬