Molecule Editor

Molecule ID: FYI-1015694 Edit

Molecule Structure InChIKey: XXVIOECEYDSHGJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc3ccc(c2ccc1cccnc1c2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015694
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    8.4870    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015694-3D
FYIcenter.com

 27 29  0     0  0  0  0  0  0999 V2000
   -6.0180   -0.5114    0.0625 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9330   -1.6337    0.2472 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1244    0.3525   -0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6379    0.7323   -0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1254   -0.5681    0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5558    0.1428   -0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7430   -0.7307    0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3872    1.6306   -0.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7656    1.8220   -0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0295    0.8966   -0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4002    1.1534    0.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0913   -1.0703   -0.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8641   -0.1996    0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7800    0.9509    0.4622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4711   -1.2728   -0.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2705   -1.4323    0.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3154   -0.2622    0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3644   -1.7354    0.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2437    2.5001   -0.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1564    2.8255   -0.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4706    1.8802   -0.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0272    2.1024    0.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4771   -1.8741   -0.8538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4260    1.7445    0.8290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8754   -2.2204   -0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9421   -0.0907    0.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8725   -2.3252    0.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  5  1  0  0  0  0
  2 16  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  2  0  0  0  0
 10 21  1  0  0  0  0
 11 14  1  0  0  0  0
 11 22  1  0  0  0  0
 12 15  2  0  0  0  0
 12 23  1  0  0  0  0
 13 16  1  0  0  0  0
 13 26  1  0  0  0  0
 14 17  2  0  0  0  0
 14 24  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
$$$$