Molecule FYI-1008448

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Molecule Summary:

ID: FYI-1008448
Names:
InChIKey: NFEFEFWCUNKTGZ-UHFFFAOYSA-N
SMILES: Cc1ccnc(CCO)n1

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

Molecule ID: FYI-1008448 Edit

Molecule Structure InChIKey: NFEFEFWCUNKTGZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccnc(CCO)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008448
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  2  0  0  0  0
 10  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008448-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
    2.5115    1.1153   -1.0116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3702    0.7865    0.4864 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1208   -1.5301    0.0400 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8277   -0.0928    0.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4365   -0.2917    0.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8563    0.0253   -0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    0.5713    0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0684   -0.6494   -0.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1449   -1.6743   -0.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5485    1.7400    0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1010   -0.9251    1.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8585    0.8202    1.5705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8812   -0.8870   -0.7712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8535    0.2035    0.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759   -0.8039   -0.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4049   -2.6699   -0.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4186    1.5322    0.6655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0525    2.6337    0.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8882    1.9621   -0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1872    1.1592   -1.7094 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 20  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  2  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END
$$$$

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2024-07-11, 941👍, 0💬