Molecule FYI-1007230

Home > Molecule

A

Molecule Summary:

ID: FYI-1007230
Names:
InChIKey: AQHOFBNLSJDCPL-UHFFFAOYSA-N
SMILES: NC(=O)CCCCCCCCCCCCCCCCCc1ccccc1

Received at FYIcenter.com on: 2024-02-09

Molecule ID: FYI-1007230 Edit

Molecule Structure InChIKey: AQHOFBNLSJDCPL-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)CCCCCCCCCCCCCCCCCc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007230
FYIcenter.com

 26 26  0  0  0  0  0  0  0  0999 V2000
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   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
   10.9119    0.7000    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
    8.4871    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
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    2.4249    0.0000    0.0000 C   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
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  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 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007230-3D
FYIcenter.com

 67 67  0  0  0  0  0  0  0  0999 V2000
    1.1192    0.0621    0.0723 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4729    0.1174    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0206    0.8615   -0.7996 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2103   -0.7795    0.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7190   -0.6243    0.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4877   -1.5132    1.7855 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9866   -1.3307    1.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7580   -2.2175    2.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2525   -2.0336    2.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0176   -2.9232    3.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5104   -2.7377    3.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2732   -3.6257    4.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7651   -3.4411    3.8796 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5267   -4.3289    4.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0179   -4.1444    4.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7754   -5.0337    5.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2658   -4.8530    5.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0226   -5.7437    6.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5140   -5.5489    6.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2966   -6.4318    7.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7798   -6.2714    6.9555 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4618   -5.2840    7.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8446   -5.1597    7.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5565   -6.0366    6.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8858   -7.0270    6.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4948   -7.1111    6.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6011    0.6457   -0.5649 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6179   -0.5372    0.7233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9161   -1.8165    0.8051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9158   -0.5083    2.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0031    0.4236    0.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0031   -0.8721   -0.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2198   -2.5640    1.6228 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2198   -1.2643    2.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2619   -0.2811    1.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2618   -1.5797    0.5548 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4887   -3.2683    2.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4887   -1.9690    3.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5264   -0.9843    2.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5261   -2.2820    1.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7472   -3.9734    3.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7455   -2.6766    4.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7823   -1.6878    3.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7844   -2.9863    2.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0015   -4.6760    3.9171 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0015   -3.3766    5.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0379   -2.3912    4.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0379   -3.6907    2.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2550   -5.3792    4.6808 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2550   -4.0799    5.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2916   -3.0947    4.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2915   -4.3944    3.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5033   -6.0834    5.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5031   -4.7837    6.6418 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5402   -3.8029    5.5732 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5416   -5.1032    4.3793 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7476   -6.7943    6.2217 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7502   -5.4856    7.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7536   -4.4913    6.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7822   -5.7841    5.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0168   -7.4828    6.9836 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0387   -6.1934    8.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9207   -4.6184    8.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.3595   -4.3908    8.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6372   -5.9480    6.6832 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4445   -7.7428    5.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9759   -7.8504    5.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 12  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 12 13  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 13 14  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 15  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 16  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 16 17  1  0  0  0  0
 16 53  1  0  0  0  0
 16 54  1  0  0  0  0
 17 18  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 19  1  0  0  0  0
 18 57  1  0  0  0  0
 18 58  1  0  0  0  0
 19 20  1  0  0  0  0
 19 59  1  0  0  0  0
 19 60  1  0  0  0  0
 20 21  1  0  0  0  0
 20 61  1  0  0  0  0
 20 62  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 63  1  0  0  0  0
 23 24  1  0  0  0  0
 23 64  1  0  0  0  0
 24 25  2  0  0  0  0
 24 65  1  0  0  0  0
 25 26  1  0  0  0  0
 25 66  1  0  0  0  0
 26 67  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-18, 171👍, 0💬