Molecule FYI-1008506

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A

Molecule Summary:

ID: FYI-1008506
Names:
InChIKey: KZFJWGUXODEXKF-UHFFFAOYSA-N
SMILES: CC(C)O/N=C(N)\\Cc1ccccc1

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

Molecule ID: FYI-1008506 Edit

Molecule Structure InChIKey: KZFJWGUXODEXKF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)O/N=C(N)\Cc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008506
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    7.2747    6.3000    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
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    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
    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  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
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008506-3D
FYIcenter.com

 30 30  0     0  0  0  0  0  0999 V2000
   -1.8592    0.0365    0.3234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6844    1.1865   -0.4596 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0907    2.9703   -0.6369 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1918    1.1924    1.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0457   -0.6135   -0.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2527    0.2551    0.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6041    1.8138   -0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5689   -1.4946    1.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7499   -1.4158   -1.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9585   -1.0952    0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5293    0.7377    0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9410   -1.9630   -0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5118   -0.1299   -0.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2177   -1.4802   -0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4209    0.7169    1.8128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6863    2.0111    1.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8180    0.1357   -0.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8254   -2.2474    1.3028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4926   -2.0049    0.7291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7656   -0.8940    1.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9547   -2.1474   -1.1834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6405   -1.9483   -1.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4011   -0.7662   -2.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0149   -1.5063    0.5778 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7726    1.7872    0.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7141   -3.0157   -0.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5060    0.2458   -0.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9832   -2.1560   -0.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5608    3.4404   -1.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7686    3.3882   -0.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 12  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  2  0  0  0  0
 11 25  1  0  0  0  0
 12 14  2  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 1215👍, 0💬