Molecule FYI-1003092

A

Molecule Summary:

ID: FYI-1003092
Names:
InChIKey: FFWVPGLOKRROCI-UHFFFAOYSA-N
SMILES: Nc2ncc(c1cc(F)c(O)c(F)c1)cc2c3cc(F)c(O)c(F)c3

Received at FYIcenter.com on: 2023-05-10

Molecule ID: FYI-1003092 Edit

Molecule Structure InChIKey: FFWVPGLOKRROCI-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2ncc(c1cc(F)c(O)c(F)c1)cc2c3cc(F)c(O)c(F)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003092
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.6995    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    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
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    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
    2.4248    6.3000    0.0000 F   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
    0.0000    4.9000    0.0000 O   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 F   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
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.0000    0.0000 N   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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  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  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 16  8  1  0  0  0  0
 17  7  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19  5  1  0  0  0  0
 20  4  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22  2  1  0  0  0  0
 23 22  1  0  0  0  0
 21 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003092-3D
FYIcenter.com

 35 37  0     0  0  0  0  0  0999 V2000
   -4.7308   -0.7085   -2.5785 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7812   -1.5055    2.0973 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9693    0.9024   -0.9845 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9488   -3.0314    0.7315 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9611   -1.7954   -0.3710 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1775   -1.7341   -0.2269 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0915    3.0298    0.5164 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2747    3.0581    0.4959 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1202    0.9697    0.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2848    0.9548    0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3726    0.2542    0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0791    0.2742    0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5494    0.2598    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0603    2.3343    0.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2371    2.3201    0.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9885   -0.2930    1.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9628    0.1127   -1.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6443   -1.0769    0.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6736    0.9266   -0.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1686   -0.5759   -1.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1944   -0.9817    1.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8928    0.2565   -0.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8636   -1.7470    0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7845   -1.1232   -0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9878   -1.0804   -0.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0482   -0.7926   -0.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1262    2.9265    0.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5422   -0.1918    2.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4963    0.5333   -2.1265 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8024   -1.6278    0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    1.9591   -0.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0773    2.7501   -0.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1895    4.0514    0.6756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2366   -2.1021    0.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0528   -2.6474    0.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  1  0  0  0  0
  5 34  1  0  0  0  0
  6 25  1  0  0  0  0
  6 35  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 14  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 26  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 15 27  1  0  0  0  0
 16 21  1  0  0  0  0
 16 28  1  0  0  0  0
 17 20  2  0  0  0  0
 17 29  1  0  0  0  0
 18 23  1  0  0  0  0
 18 30  1  0  0  0  0
 19 22  2  0  0  0  0
 19 31  1  0  0  0  0
 20 24  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 1723👍, 0💬