Molecule FYI-1008847

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A

Molecule Summary:

ID: FYI-1008847
Names:
InChIKey: XFIFLMUVUBNJEY-UHFFFAOYSA-N
SMILES: CCCNC(=O)c1ccccc1N

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008847 Edit

Molecule Structure InChIKey: XFIFLMUVUBNJEY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCNC(=O)c1ccccc1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1008847
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.8000    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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   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
    3.6373    0.0000    0.0000 N   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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008847-3D
FYIcenter.com

 27 27  0     0  0  0  0  0  0999 V2000
    0.7430    1.7612    0.5331 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6009   -0.0161   -0.6861 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8457    2.2105    0.0430 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9506    0.4692   -0.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8119   -0.0045    0.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7445    0.0317   -0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5918    0.6806   -0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8918    0.7986    0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9278   -1.5207    0.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7866   -1.3492   -0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1318    0.1598    0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0266   -1.9877   -0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1991   -1.2333    0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9383    1.5643   -0.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3659    0.1165   -1.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8150    0.4254    0.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3973    0.3626    1.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3959   -0.8789   -1.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3323   -1.9248   -0.4723 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6001   -1.8103    1.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9567   -1.9894    0.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1017   -1.9727   -0.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0536    0.7354    0.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0795   -3.0726   -0.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1644   -1.7307    0.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9635    2.7016    0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7079    2.7392    0.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  0  0  0  0
  3  8  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 10 22  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
$$$$

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2024-04-29, 132👍, 0💬