Molecule FYI-1010495

Home > Molecule

A

Molecule Summary:

ID: FYI-1010495
Names:
InChIKey: XIWMTQIUUWJNRP-UHFFFAOYSA-N
SMILES: Nc1ccc(O)c(N)c1

Received at FYIcenter.com on: 2024-06-10

Molecule ID: FYI-1010495 Edit

Molecule Structure InChIKey: XIWMTQIUUWJNRP-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ccc(O)c(N)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1010495
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    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
    2.4251    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   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  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
  1  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010495-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
   -2.4724    0.8803   -0.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7071   -1.8262    0.0008 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9376   -0.4162   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7491   -0.7886   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5647   -0.0932    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6085   -1.1088   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1507    0.5472    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1631    1.2426    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1946    1.5628    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9224   -2.1505   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8985    2.0431    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4929    2.6078    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4088   -2.7925   -0.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6928   -1.6002   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6309    0.3201    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2300   -1.3844    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5558    1.8494   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-30, 113👍, 0💬