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Common name


silafluofen

Formula


C25H29FO2Si

CAS


105024-66-6

IUPAC name


(4-ethoxyphenyl)[3-(4-fluoro-3-phenoxyphenyl)propyl]dimethylsilane

SMILES


CCOc1ccc(cc1)[Si](C)(C)CCCc1ccc(c(c1)Oc1ccccc1)F

INCHI


InChI=1S/C25H29FO2Si/c1-4-27-21-13-15-23(16-14-21)29(2,3)18-8-9-20-12-17-24(26)25(19-20)28-22-10-6-5-7-11-22/h5-7,10-17,19H,4,8-9,18H2,1-3H3

Physicochemical Properties

Molecular weight:

408.58

Molar refractivity:

126.068

Num. bonds:

31

Num. double bonds:

9

Num. triple bonds:

0

Num. heavy atoms:

29

Num. nitrogen atom:

0

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

1

Num. H-bond acc:

0

Num. H-bond donors:

0

Complexity of system:

149.04

Lipophilicity

ALogP:

4.129

MLogP:

3.77

XLogP:

5.139

Water Solubility

CLogS:

-8.174

Geometric

PPSA-1:

499.896

PNSA-1:

232.155

RPCS:

0.623

RNCS:

3.328

THSA:

685.912

TPSA:

46.14

RHSA:

0.937

RPSA:

0.063

Electrostatic

RPCG:

0.088

RNCG:

0.197

Flexibility

Num. Rot. bonds:

9

Frac. of Rot. bonds:

0.29

Photostability

Num. arom. bonds:

18

Num. arom. atoms:

18

Num. arom. rings:

3

Num. rings:

3

Topological

topoRadius:

9

topoDiameter:

18

TopoPSA:

18.46
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.594

QEI:

0.429

Gau:

4.306