Molecule FYI-1003480

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A

Molecule Summary:

ID: FYI-1003480
Names:
InChIKey: HOMGKSMUEGBAAB-UHFFFAOYSA-N
SMILES: O=P1(NCCCl)OCCCN1CCCl

Received at FYIcenter.com on: 2023-06-21

Molecule ID: FYI-1003480 Edit

Molecule Structure InChIKey: HOMGKSMUEGBAAB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=P1(NCCCl)OCCCN1CCCl

Download SDF Download SVG Structure in 2D SDF:

FYI-1003480
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 C   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 O   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
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 Cl  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 Cl  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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  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
 12  3  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003480-3D
FYIcenter.com

 29 29  0     1  0  0  0  0  0999 V2000
   -2.2988    3.7376    0.2524 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9997    0.8072    0.2413 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1732   -0.3019   -0.6917 P   0  0  1  0  0  0  0  0  0  0  0  0
    0.0199   -1.8851   -1.0364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1477    0.5011   -1.9706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6131   -0.2295    0.1493 N   0  0  1  0  0  0  0  0  0  0  0  0
    1.0488    0.0763    0.3696 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8694   -1.2792    1.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414   -2.6678    0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2289   -2.8385   -0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0409    1.0693    0.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4132    0.0806   -0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7984    2.1496   -0.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3303    0.7805    0.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9070   -1.2280    1.4949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2158   -1.1470    2.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8342   -3.4327    1.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3635   -2.8213   -0.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5217   -2.7267    0.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1132   -3.8361   -0.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4861    1.3117    1.5813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1080    1.0401    0.9182 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0246   -0.3793    1.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4508    0.6055   -1.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7434   -0.9500   -0.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7401    2.2903   -0.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3543    1.9661   -1.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0228    1.8182    1.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3441    0.2647    1.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-08, 1833👍, 0💬