Molecule FYI-1010505

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A

Molecule Summary:

ID: FYI-1010505
Names:
InChIKey: PFNFFQXMRSDOHW-UHFFFAOYSA-N
SMILES: NCCCNCCCCNCCCN

Received at FYIcenter.com on: 2024-06-11

Molecule ID: FYI-1010505 Edit

Molecule Structure InChIKey: PFNFFQXMRSDOHW-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCNCCCCNCCCN

Download SDF Download SVG Structure in 2D SDF:

FYI-1010505
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7001    0.0000 N   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010505-3D
FYIcenter.com

 40 39  0     0  0  0  0  0  0999 V2000
    3.1077    0.3677   -0.0218 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1092   -0.3632   -0.0212 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0341    0.3370    0.0499 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0357   -0.3745    0.0459 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6572    0.4524   -0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6266   -0.3840   -0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8959   -0.4433   -0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9044    0.4577   -0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2957   -0.4740    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3043    0.4683    0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5832    0.3529    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5848   -0.3695    0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8465   -0.5097    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8554    0.4824    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6646    1.1104    0.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6683    1.0969   -0.9277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6225   -1.0453    0.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6319   -1.0333   -0.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8807   -1.0965   -0.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8683   -1.0808    0.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9019    1.1184   -0.8972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8906    1.0944    0.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3065   -1.1306   -0.8787 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2814   -1.1143    0.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3200    1.1290   -0.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2964    1.1042    0.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1256    0.9691   -0.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1200   -0.9608   -0.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5980    1.0128   -0.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5828    1.0037    0.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5931   -1.0252   -0.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5797   -1.0247    0.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8507   -1.1647    0.8971 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8736   -1.1448   -0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8659    1.1329    0.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8870    1.1216   -0.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8671   -0.2481    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0536    0.9309   -0.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8736    0.2038   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0494   -0.9645   -0.7851 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  1 27  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 28  1  0  0  0  0
  3 13  1  0  0  0  0
  3 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4 14  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
M  END
$$$$

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2024-06-30, 1213👍, 0💬