Molecule FYI-1003265

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A

Molecule Summary:

ID: FYI-1003265
Names:
InChIKey: KPHSCIPJKSUSLV-UHFFFAOYSA-N
SMILES: Oc3cccc(c2ncc(c1ccccc1O)o2)c3O

Received at FYIcenter.com on: 2023-05-31

Molecule ID: FYI-1003265 Edit

Molecule Structure InChIKey: KPHSCIPJKSUSLV-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc3cccc(c2ncc(c1ccccc1O)o2)c3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003265
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.8271    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2597    4.8757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1271    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9944    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4271    3.5442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    6.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    7.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    4.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0805    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9034    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2958    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8652    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0423    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6117    3.8369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2575    1.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4123    7.6145    0.0000 O   0  0  0  0  0  0  0  0  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  1  1  0  0  0  0
  4  6  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  6 12  1  0  0  0  0
  6  8  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  7 17  1  0  0  0  0
  7 13  2  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003265-3D
FYIcenter.com

 31 33  0     0  0  0  0  0  0999 V2000
   -0.2955    0.3251    0.0583 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1003   -1.9224   -0.3139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5764   -2.0932   -0.4476 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5261   -0.6582   -0.6642 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5043   -1.6591    0.7917 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0594    0.1818    0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3562   -0.4886    0.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6680    0.0687    0.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7820   -0.4476    0.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1863   -0.5690   -0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8664   -1.6914    0.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1633    1.5642    0.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7348   -0.7474   -0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8596    1.4421    0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4170    0.0623   -0.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3941    2.1955    0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5211    1.4445   -0.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9934   -0.1902   -0.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1182    1.9996    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1852    1.1834   -0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4100   -2.5722    1.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3054    2.1759    0.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0483    2.1017    0.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4758    3.2715    0.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4737    1.9494   -0.3177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8342   -0.8133   -0.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2682    3.0687    0.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1652    1.6174   -0.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1859   -2.2293   -0.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4265   -2.4865   -0.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2838   -0.0540   -0.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 29  1  0  0  0  0
  3 13  1  0  0  0  0
  3 30  1  0  0  0  0
  4 15  1  0  0  0  0
  4 31  1  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 21  1  0  0  0  0
 12 16  2  0  0  0  0
 12 22  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 14 23  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 20  1  0  0  0  0
 18 26  1  0  0  0  0
 19 20  2  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 1952👍, 0💬