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Common name


etofenprox

Formula


C25H28O3

CAS


80844-07-1

IUPAC name


1-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-3-phenoxybenzene

SMILES


CCOc1ccc(cc1)C(C)(C)COCc1cccc(c1)Oc1ccccc1

INCHI


InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3

Physicochemical Properties

Molecular weight:

376.488

Molar refractivity:

126.307

Num. bonds:

30

Num. double bonds:

9

Num. triple bonds:

0

Num. heavy atoms:

28

Num. nitrogen atom:

0

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

1

Num. H-bond donors:

0

Complexity of system:

144.03

Lipophilicity

ALogP:

3.306

MLogP:

3.88

XLogP:

3.389

Water Solubility

CLogS:

-7.05

Geometric

PPSA-1:

538.015

PNSA-1:

231.785

RPCS:

0.58

RNCS:

0.596

THSA:

728.562

TPSA:

41.237

RHSA:

0.946

RPSA:

0.054

Electrostatic

RPCG:

0.045

RNCG:

0.205

Flexibility

Num. Rot. bonds:

9

Frac. of Rot. bonds:

0.3

Photostability

Num. arom. bonds:

18

Num. arom. atoms:

18

Num. arom. rings:

3

Num. rings:

3

Topological

topoRadius:

9

topoDiameter:

18

TopoPSA:

27.69
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.141

QEI:

0.528

Gau:

5.404