Molecule Editor

Molecule ID: FYI-1015743 Edit

Molecule Structure InChIKey: UIEABCXJWANXFS-UHFFFAOYSA-N

Molecule Structure SMILES String: OCc1ccn[nH]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015743
FYIcenter.com

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015743-3D
FYIcenter.com

 13 13  0     0  0  0  0  0  0999 V2000
   -2.4634    0.0670   -0.6609 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724    1.0214    0.1260 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7568    0.7453   -0.1573 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3121   -0.0859    0.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7482    0.0030    0.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5168   -1.1612    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7777   -0.5897   -0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0871   -0.8789    1.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9820    0.8971    1.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2488   -2.2074    0.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1998    1.9928    0.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7110   -1.0903   -0.4139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4085    0.1203   -0.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
$$$$