Molecule FYI-1014412

Home > Molecule

A

Molecule Summary:

ID: FYI-1014412
Names:
InChIKey: UCDZMNCEQOYDGS-BUHFOSPRSA-N
SMILES: Oc2ccc(/N=N/c1ccccc1)c(O)n2

Received at FYIcenter.com on: 2025-04-15

Molecule ID: FYI-1014412 Edit

Molecule Structure InChIKey: UCDZMNCEQOYDGS-BUHFOSPRSA-N

Molecule Structure SMILES String: Oc2ccc(/N=N/c1ccccc1)c(O)n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014412
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   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
  8  7  1  0  0  0  0
  9  8  2  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
 13  8  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 16  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014412-3D
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.1355   -0.1651   -0.2228 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4907   -0.1241   -0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1948    1.0461   -0.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.0191   -0.1562 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2215   -0.1629    0.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6197   -0.1256    0.4098 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1899   -1.1665    0.0267 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5993   -1.0729    0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3052   -0.1623    0.8838 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7024   -0.1156    0.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141   -0.9888    0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7313   -1.9147   -0.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3347   -1.9561   -0.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3982   -1.2762    0.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9197   -2.4766    0.8386 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0574   -1.2815    0.2852 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8245    0.7173   -0.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6986    1.9627   -0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625    1.9204   -0.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7716    0.5260    1.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2328    0.6051    1.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5003   -0.9488    0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2830   -2.6019   -1.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8117   -2.6800   -1.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8845   -2.3527    0.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  2  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 168👍, 0💬