Molecule FYI-1003271

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A

Molecule Summary:

ID: FYI-1003271
Names:
InChIKey: IHACWDINNZTNTN-UHFFFAOYSA-N
SMILES: Oc3ccc(O)c(c2cnc(c1ccccc1)o2)c3

Received at FYIcenter.com on: 2023-05-31

Molecule ID: FYI-1003271 Edit

Molecule Structure InChIKey: IHACWDINNZTNTN-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc3ccc(O)c(c2cnc(c1ccccc1)o2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003271
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.5764    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0090    4.8757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8764    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7437    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1764    3.5442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4123    5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3993    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1212    6.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897    7.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7493    6.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    4.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8298    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6527    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0451    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6145    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7916    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1616    7.6145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  6 12  1  0  0  0  0
  6  8  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  7 17  1  0  0  0  0
  7 13  2  0  0  0  0
  8 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003271-3D
FYIcenter.com

 30 32  0     0  0  0  0  0  0999 V2000
   -0.3755   -0.0251   -0.0102 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8901    2.3715   -0.6494 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6410   -2.9693    0.4996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2118    2.0128    0.5019 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9818    0.2617    0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6707    0.8211    0.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4675    0.7628    0.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7391    0.1021    0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0540    1.0487   -0.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1789   -1.0884    0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1588    2.0564    0.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4481   -1.6517    0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3233    0.4855   -0.4916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9242    0.8153    0.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7836   -1.2501   -0.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5204   -0.8647   -0.2027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1539    0.1764    0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0131   -1.8891   -0.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1983   -1.1758   -0.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3551   -1.7144    0.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6857    2.9688    0.7494 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1682    1.0862   -0.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9139    1.8699    0.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8826   -1.8398   -0.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5115   -1.2980   -0.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0769    0.7315    0.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0484   -2.9420   -0.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1557   -1.6734   -0.4194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7450    2.7466   -0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7944   -3.3611    0.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 29  1  0  0  0  0
  3 12  1  0  0  0  0
  3 30  1  0  0  0  0
  4  7  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 16  1  0  0  0  0
 13 16  2  0  0  0  0
 13 22  1  0  0  0  0
 14 17  1  0  0  0  0
 14 23  1  0  0  0  0
 15 18  2  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 19  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 3327👍, 0💬