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Common name


hexaflumuron

Formula


C16H8Cl2F6N2O3

CAS


86479-06-3

IUPAC name


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

SMILES


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

INCHI


InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)

Physicochemical Properties

Molecular weight:

461.143

Molar refractivity:

86.862

Num. bonds:

30

Num. double bonds:

10

Num. triple bonds:

0

Num. heavy atoms:

29

Num. nitrogen atom:

2

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

8

Num. H-bond acc:

3

Num. H-bond donors:

2

Complexity of system:

88.13

Lipophilicity

ALogP:

3.162

MLogP:

1.79

XLogP:

4.631

Water Solubility

CLogS:

-5.804

Geometric

PPSA-1:

278.212

PNSA-1:

576.011

RPCS:

0

RNCS:

0.761

THSA:

598.462

TPSA:

255.762

RHSA:

0.701

RPSA:

0.299

Electrostatic

RPCG:

0.145

RNCG:

0.106

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.2

Photostability

Num. arom. bonds:

14

Num. arom. atoms:

14

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

8

topoDiameter:

15

TopoPSA:

43.37
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

0.806

QEI:

0.431

Gau:

6.01