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Common name


flufenprox

Formula


C24H22ClF3O3

CAS


107713-58-6

IUPAC name


1-(4-chlorophenoxy)-3-[[2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]methyl]benzene

SMILES


CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccc(cc1)Cl)C(F)(F)F

INCHI


InChI=1S/C24H22ClF3O3/c1-2-30-20-10-6-18(7-11-20)23(24(26,27)28)16-29-15-17-4-3-5-22(14-17)31-21-12-8-19(25)9-13-21/h3-14,23H,2,15-16H2,1H3

Physicochemical Properties

Molecular weight:

450.878

Molar refractivity:

126.636

Num. bonds:

33

Num. double bonds:

9

Num. triple bonds:

0

Num. heavy atoms:

31

Num. nitrogen atom:

0

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

4

Num. H-bond acc:

1

Num. H-bond donors:

0

Complexity of system:

159.07

Lipophilicity

ALogP:

3.553

MLogP:

3.33

XLogP:

4.556

Water Solubility

CLogS:

-7.863

Geometric

PPSA-1:

427.512

PNSA-1:

424.028

RPCS:

2.169

RNCS:

0.997

THSA:

784.629

TPSA:

66.91

RHSA:

0.921

RPSA:

0.079

Electrostatic

RPCG:

0.178

RNCG:

0.167

Flexibility

Num. Rot. bonds:

10

Frac. of Rot. bonds:

0.303

Photostability

Num. arom. bonds:

18

Num. arom. atoms:

18

Num. arom. rings:

3

Num. rings:

3

Topological

topoRadius:

10

topoDiameter:

19

TopoPSA:

27.69
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

0.909

QEI:

0.343

Gau:

4.659