Molecule FYI-1001639

Home > Molecule

A

Molecule Summary:

ID: FYI-1001639
SMILES: Oc1ccccc1

Received at FYIcenter.com on: 2022-10-13

Molecule ID: FYI-1001639 Edit

Molecule Structure SMILES String: Oc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001639
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.7000    0.0000 C   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
    2.4249    2.8000    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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  5  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001639-3D
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.2671    0.0200    0.0146 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9037   -0.0050    0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2002   -1.2064    0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1957   -1.1828   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8755    0.0364   -0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1606    1.2347    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2341    1.2132    0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5916   -0.8949   -0.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7155   -2.1612    0.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7551   -2.1147   -0.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9623    0.0531   -0.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6882    2.1846   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7962    2.1426    0.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  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  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-21, 1954👍, 0💬