Compound 38
  CheckMol                        TMF02:r0:m0
MF=C17H8Cl2F8N2O3 MW=511.17
 32 33  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3063    0.7532   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3180    2.2595   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6126    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0353    3.0127   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6243    3.0127   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9188    0.7767   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0471    4.5190   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9306    2.2830   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2251    0.0471   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5534    4.5308   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8002    5.8253   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2357    5.2722   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2369    3.0480   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.5314    0.8002   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2239    6.7785   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5184    4.5308   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5431    2.3066   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8377    0.0706   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7535    3.2480   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8011    3.7894   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2480    5.8371   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1439    0.8238   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1557    2.3301   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4502    0.0941   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -11.7565    0.8591   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -10.4620   -1.3887   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -11.7683    2.3654   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0628    0.1295   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -9.1792   -2.1301   -0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7683   -2.1183   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  -13.0745   -1.3533   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5  1  0  0  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  5  8  1  0  0  0  0
  6  9 02  0  1  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26 02  0  1  0  0
 25 27 01  0  1  0  0
 26 28  1  0  0  0  0
 26 29 01  0  1  0  0
 27 30  1  0  0  0  0
 27 31 02  0  1  0  0
 29 32 02  0  1  0  0
  7  9 01  0  1  0  0
 31 32 01  0  1  0  0
M  END

2D Structure

Lufenuron

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Chemical Name - Lufenuron
Mol Weight - 511.152
Smiles - O=C(c(c(F)ccc1)c1F)NC(Nc(c(Cl)c1)cc(Cl)c1OC(C(C(F)(F)F)F)(F)F)=O

Property Name	Property Value
Mol Name	Lufenuron
Molweight	511.152
Monoisotopic Mass	509.978421
Clogp	5.6706
Clogs	-7.865
H Acceptors	5
H Donors	2
Total Surface Area	316.4
Relative Psa	0.18647
Polar Surface Area	67.43
Druglikeness	-18.204
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.53125
Molecular Flexibility	0.53546
Molecular Complexity	0.82449
Fragments	1
Non H Atoms	32
Non Ch Atoms	15
Electronegative Atoms	15
Stereo Centers	1
Rotatable Bonds	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	4
Symmetric Atoms	6
Amides	2
Smiles	O=C(c(c(F)ccc1)c1F)NC(Nc(c(Cl)c1)cc(Cl)c1OC(C(C(F)(F)F)F)(F)F)=O
InChIKey	InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)
InChI	PWPJGUXAGUPAHP-UHFFFAOYSA-N

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1 — Lufenuron | 2 — Lufenuron