Molecule FYI-1008659

Home > Molecule

A

Molecule Summary:

ID: FYI-1008659
Names:
InChIKey: MHOKXAQITUOCRL-UHFFFAOYSA-N
SMILES: O=c2nc[nH]c1CCOCc12

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

Molecule ID: FYI-1008659 Edit

Molecule Structure InChIKey: MHOKXAQITUOCRL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c2nc[nH]c1CCOCc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008659
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   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
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008659-3D
FYIcenter.com

 19 20  0     0  0  0  0  0  0999 V2000
    2.3947    0.9122   -0.3510 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6689    2.0834    0.0804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7344   -1.7922   -0.0508 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3928   -0.0991    0.0067 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7070   -1.3842   -0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -0.8835   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0311    0.4360    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6808   -0.2834    0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1212    1.4670    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4099    0.8835    0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0206   -1.3397   -0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8241   -2.2427    0.6298 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448   -1.7185   -1.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6297   -0.0816    1.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7072   -0.5853    0.1438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9054    2.2541   -0.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043    1.9341    0.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5052   -2.7791   -0.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7659   -2.1499   -0.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  2  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  3 18  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 734👍, 0💬