Molecule FYI-1003268

Home > Molecule

A

Molecule Summary:

ID: FYI-1003268
Names:
InChIKey: HNEZJJQKKKMKMN-UHFFFAOYSA-N
SMILES: Oc3ccc(O)c(c2ncc(c1ccccc1O)o2)c3

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

Molecule ID: FYI-1003268 Edit

Molecule Structure InChIKey: HNEZJJQKKKMKMN-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc3ccc(O)c(c2ncc(c1ccccc1O)o2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003268
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.8271    4.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2597    6.1546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1271    6.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9944    6.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4271    4.8231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    6.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    7.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    8.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    6.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    5.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0805    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9034    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2958    1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8652    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0423    3.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6117    5.1158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3339    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4123    8.8934    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
 14 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003268-3D
FYIcenter.com

 31 33  0     0  0  0  0  0  0999 V2000
   -0.1820    0.1345   -0.0132 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9752   -2.4403    0.4359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6984   -1.9464    0.4091 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9189    2.9591   -0.1667 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4337   -1.9199   -0.7310 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1492   -0.2419   -0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3119   -0.5701   -0.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5670    0.1147   -0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8203   -0.7416   -0.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1868   -1.1019    0.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    1.1228   -0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9338   -1.8160   -0.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7187   -0.5916    0.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6179    1.5004   -0.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6785    1.6275   -0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4705   -0.5973    0.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7163    0.7674    0.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9214    0.0876    0.4486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8207    2.1795   -0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9725    1.4733    0.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5996    1.8068   -0.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5548   -2.6388   -1.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7381    2.0762   -0.5218 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2890   -1.2551    0.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7182    1.1548    0.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8270   -0.4491    0.7186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8611    3.2582   -0.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9090    2.0023    0.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8118   -2.8688    0.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5897   -2.2536    0.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0910    3.4044   -0.4165 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 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  2  0  0  0  0
 11 21  1  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  1  0  0  0  0
 16 17  2  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, 1527👍, 0💬