Molecule FYI-1006350

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A

Molecule Summary:

ID: FYI-1006350
Names:
InChIKey: GMBRRDISFVFICJ-UHFFFAOYSA-N
SMILES: Cc2ccc(Cl)c(NC(=O)c1ccccc1)c2

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006350 Edit

Molecule Structure InChIKey: GMBRRDISFVFICJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2ccc(Cl)c(NC(=O)c1ccccc1)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006350
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17  7  2  0  0  0  0
 17  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006350-3D
FYIcenter.com

 29 30  0     0  0  0  0  0  0999 V2000
    1.5120   -2.9914    0.5409 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5179    1.8027    0.5302 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0707   -0.3881   -0.0870 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4672   -0.3257   -0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    0.9965   -0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0870    0.8998   -0.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2380   -1.4544    0.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2368    0.3168    0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2492   -0.1321    0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8289    0.6483    0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -1.3575    0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1406    2.3072   -0.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1973    1.0003    0.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6273   -0.6844   -0.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5479    0.6825    0.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9779   -1.0019   -0.9873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9381   -0.3185   -0.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5248    1.7887   -0.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3024   -1.3336   -0.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338   -0.0710    0.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2445   -2.2276    0.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1504    2.3366   -0.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2116    2.4860   -1.5929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5765    3.1264   -0.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9146    1.7801    1.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9155   -1.2201   -1.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2957    1.2139    1.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2831   -1.7766   -1.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9898   -0.5648   -0.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  3 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6 18  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
  9 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-29, 291👍, 0💬