Molecule FYI-1006221

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A

Molecule Summary:

ID: FYI-1006221
Names:
InChIKey: GMRWGQCZJGVHKL-UHFFFAOYSA-N
SMILES: ClCC1CO1.NCCNCCNCCNCCN

Received at FYIcenter.com on: 2023-12-03

Molecule ID: FYI-1006221 Edit

Molecule Structure InChIKey: GMRWGQCZJGVHKL-UHFFFAOYSA-N

Molecule Structure SMILES String: ClCC1CO1.NCCNCCNCCNCCN

Download SDF Download SVG Structure in 2D SDF:

FYI-1006221
FYIcenter.com

 18 17  0  0  0  0  0  0  0  0999 V2000
   21.4234    0.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0191    0.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7212    2.2045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4112    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7665    0.3675    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    0.8573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0579    1.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4829    1.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    0.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    1.5432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9076    1.5596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    0.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2165    1.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3324    1.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    0.8737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006221-3D
FYIcenter.com

 46 45  0  0  1  0  0  0  0  0999 V2000
    2.9206    1.2102   -1.5022 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3729    0.2007   -1.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2196   -1.0598   -0.8715 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3483   -2.0550   -0.8367 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1789   -2.2662   -1.6418 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4593    0.4036    3.6340 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9187    0.4557    3.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3501    0.8658    2.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8031    0.8593    1.8515 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5222    1.8265    2.6791 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0420    1.7690    2.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8359    2.7307    3.1846 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6935    2.5577    4.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2866    1.2380    5.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6993    1.0352    4.8246 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5594    1.9848    5.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0485    1.7418    5.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8722    2.7546    5.9177 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2166    0.7842   -1.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5324    0.0063   -2.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5905   -0.9928    0.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4652   -2.6525    0.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2717   -1.8238   -1.3509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2107    0.1284    4.5815 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1019   -0.3267    3.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3366   -0.5287    3.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2876    1.1747    4.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9406    1.8499    1.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9071    0.1526    1.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9311    1.1348    0.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3457    1.5914    3.7301 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1541    2.8399    2.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2204    1.9871    1.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4200    0.7524    2.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5329    3.6750    2.9436 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6523    2.6547    4.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2033    3.4031    5.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7149    0.3907    4.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1610    1.1941    6.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7728    1.2270    3.8218 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3884    1.9022    6.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3180    3.0118    5.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2369    1.7809    4.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3440    0.7481    5.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6467    3.6754    5.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8515    2.5888    5.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-10, 1502👍, 0💬