Molecule FYI-1001011

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Molecule Summary:

ID: FYI-1001011
SMILES: OCC1OC(n2cnc3cc(Cl)c(Cl)cc32)C(O)C1O

Received at FYIcenter.com on: 2021-10-07

Molecule ID: FYI-1001011 Edit

Molecule Structure SMILES String: OCC1OC(n2cnc3cc(Cl)c(Cl)cc32)C(O)C1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001011
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0623    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  5  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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    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  3  1  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
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 16  1  0  0  0  0
 25 24  1  0  0  0  0
 25  6  1  0  0  0  0
 25 12  2  0  0  0  0
 26  5  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 28  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001011-3D
FYIcenter.com

 32 34  0  0  1  0  0  0  0  0999 V2000
    0.7834   -0.2288    0.1076 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1991   -0.0425    0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9187   -1.3487    0.4646 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7572   -2.2974   -0.6080 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -3.6326   -0.0351 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6881   -4.4629   -0.7710 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4282   -4.0528   -1.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1041   -5.0394   -2.3899 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7800   -6.1423   -1.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1915   -7.4706   -1.8274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7239   -8.4440   -0.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375  -10.0735   -1.2091 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8765   -8.0937    0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2996   -9.2643    1.2600 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4490   -6.7675    0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9121   -5.8127   -0.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0088   -3.4763    1.4779 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3813   -3.5375    1.8712 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4538   -2.0789    1.7263 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0317   -2.1821    1.8410 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4005    0.5801   -0.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4282    0.7235    0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5053    0.3114   -0.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9948   -1.1405    0.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7496   -4.0425   -0.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4259   -3.0321   -2.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8476   -7.7195   -2.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927   -6.5028    1.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725   -4.2437    2.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9348   -3.0498    1.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8459   -1.6033    2.6296 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6312   -1.5211    1.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  2  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  2  0  0  0  0
 10 11  2  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-03-29, 2234👍, 0💬