Molecule FYI-1013531

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A

Molecule Summary:

ID: FYI-1013531
Names:
InChIKey: QZVCTJOXCFMACW-UHFFFAOYSA-N
SMILES: CC(COc1ccccc1)N(CCCl)Cc2ccccc2

Received at FYIcenter.com on: 2025-01-01

Molecule ID: FYI-1013531 Edit

Molecule Structure InChIKey: QZVCTJOXCFMACW-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(COc1ccccc1)N(CCCl)Cc2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013531
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   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
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  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    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   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
    1.2124    3.5000    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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  2  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 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013531-3D
FYIcenter.com

 43 44  0     1  0  0  0  0  0999 V2000
   -4.0444    3.0106    1.7476 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7560    1.3842    0.4851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9943    1.1018   -0.0630 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2503    2.2746   -0.5194 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9794    0.0566   -1.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3699    1.4675    0.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    1.8917   -0.7286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8800    2.8313   -1.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6857   -1.1904   -0.6242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3736    2.5730    1.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9669   -2.1796    0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0455   -1.3332   -0.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7824    0.4835    0.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6211   -3.3351    0.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6999   -2.4886   -0.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9875   -3.4894    0.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6471    0.5552   -0.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9486   -0.4939    1.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6916   -0.3625   -0.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9931   -1.4115    1.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8645   -1.3458    0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2118    3.0504    0.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4560    0.3599   -2.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0332   -0.2612   -1.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8697    0.6250    0.7637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9834    1.7367   -0.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3367    1.2136   -1.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732    2.8043   -0.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3445    3.7501   -2.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7801    2.1757   -2.6664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9248    3.1322   -1.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9537    3.5158    0.9674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8603    2.2706    2.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0971   -2.0691    0.2219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6123   -0.5705   -1.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0667   -4.1140    0.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7632   -2.6105   -0.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4969   -4.3893    0.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5693    1.3241   -1.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2710   -0.5494    2.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3751   -0.3071   -1.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1276   -2.1773    1.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6787   -2.0592    0.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 22  1  0  0  0  0
  5  9  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 10  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 14  1  0  0  0  0
 11 34  1  0  0  0  0
 12 15  2  0  0  0  0
 12 35  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 16  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  1  0  0  0  0
 17 39  1  0  0  0  0
 18 20  2  0  0  0  0
 18 40  1  0  0  0  0
 19 21  2  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1485👍, 0💬