Molecule FYI-1001590

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A

Molecule Summary:

ID: FYI-1001590
SMILES: C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N

Received at FYIcenter.com on: 2022-09-22

Molecule ID: FYI-1001590 Edit

Molecule Structure SMILES String: C1=CC(=C2C(=C1)OC(O2)(F)F)C3=CNC=C3C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1001590
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    5.8530    3.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    3.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    3.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    5.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    6.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    5.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3495    7.4353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9572    7.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3877    6.3027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9572    8.9817    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448    8.2817    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    1.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1502    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  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001590-3D
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.8798    1.0447   -0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1561   -0.3367   -0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1233   -1.2909   -0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1762   -0.7945   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4399    0.5618   -0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5646    1.5048   -0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7711    0.8430    0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3051   -0.4837    0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3285   -1.5260    0.0242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1075   -0.6476   -1.0563 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0768   -0.6201    1.1306 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4168   -2.7215    0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6203   -3.6803   -0.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1378   -4.9211   -0.3071 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2797   -4.7845    0.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4822   -3.4375    0.6606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5740   -2.9137    1.4211 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4697   -2.4754    2.0182 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7037    1.7559   -0.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2009   -0.6402   -0.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3407    2.5661   -0.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2868   -3.5921   -1.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7315   -5.7991   -0.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8434   -5.6544    0.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  3  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 406👍, 0💬