Molecule FYI-1006037

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A

Molecule Summary:

ID: FYI-1006037
Names:
InChIKey: DYHNOYIAXDEVIK-UHFFFAOYSA-N
SMILES: Cc1ccccc1n3cc(CO)c2ccccc23

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1006037 Edit

Molecule Structure InChIKey: DYHNOYIAXDEVIK-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccccc1n3cc(CO)c2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006037
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    8.8176    4.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3927    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1138    4.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1769    3.5843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    3.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    5.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    5.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    2.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    1.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8769    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4443    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3810    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7505    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1831    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2464    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  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
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18  3  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006037-3D
FYIcenter.com

 33 35  0     0  0  0  0  0  0999 V2000
   -3.4398    2.6437   -0.3816 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1885    0.2426    0.2612 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7425   -0.7350   -0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0036   -0.1601    0.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7964    1.1952    0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4388    1.4128    0.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5761    0.0864    0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5667   -2.0706   -0.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517    0.8590   -0.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1465   -0.9553   -0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8429    2.1961    0.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1841   -0.8588    1.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7147   -2.8398   -0.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9859   -2.2929   -0.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7354    0.6865   -0.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310    1.8799   -1.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5677   -1.0312    0.9956 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3434   -0.2586    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1179    2.3014    0.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4152   -2.5087   -0.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1444   -0.5439    0.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6265    1.7668    1.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4264    3.0673    1.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6009   -1.4633    1.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6132   -3.8805   -0.8936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8638   -2.9109   -0.6008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3545    1.2819   -1.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8211    1.5024   -2.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4105    2.1456   -2.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5107    2.7996   -1.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0417   -1.7649    1.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4208   -0.3922    0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1228    3.2926   -0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 20  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 14  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 17  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 18  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
$$$$

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2023-12-01, 298👍, 0💬