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Common name


lufenuron

Formula


C17H8Cl2F8N2O3

CAS


103055-07-8

IUPAC name


N-[[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-2,6-difluorobenzamide

SMILES


c1cc(c(c(c1)F)C(=O)NC(=O)Nc1cc(c(cc1Cl)OC(C(C(F)(F)F)F)(F)F)Cl)F

INCHI


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)

Physicochemical Properties

Molecular weight:

511.15

Molar refractivity:

92.022

Num. bonds:

33

Num. double bonds:

10

Num. triple bonds:

0

Num. heavy atoms:

32

Num. nitrogen atom:

2

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

10

Num. H-bond acc:

3

Num. H-bond donors:

2

Complexity of system:

97.15

Lipophilicity

ALogP:

4.085

MLogP:

1.68

XLogP:

5.649

Water Solubility

CLogS:

-6.838

Geometric

PPSA-1:

259.141

PNSA-1:

630.126

RPCS:

0.025

RNCS:

0.582

THSA:

680.32

TPSA:

208.948

RHSA:

0.765

RPSA:

0.235

Electrostatic

RPCG:

0.132

RNCG:

0.095

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.212

Photostability

Num. arom. bonds:

14

Num. arom. atoms:

14

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

8

topoDiameter:

16

TopoPSA:

43.37
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

0.981

QEI:

0.351

Gau:

5.418