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Common name


pyriproxyfen

Formula


C20H19NO3

CAS


95737-68-1

IUPAC name


2-[1-methyl-2-(4-phenoxyphenoxy)ethoxy]pyridine

SMILES


CC(COc1ccc(cc1)Oc1ccccc1)Oc1ccccn1

INCHI


InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3

Physicochemical Properties

Molecular weight:

321.37

Molar refractivity:

102.215

Num. bonds:

26

Num. double bonds:

9

Num. triple bonds:

0

Num. heavy atoms:

24

Num. nitrogen atom:

1

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

1

Complexity of system:

124.04

Lipophilicity

ALogP:

1.686

MLogP:

3.22

XLogP:

3.24

Water Solubility

CLogS:

-5.131

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.269

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

3

Num. rings:

3

Topological

topoRadius:

8

topoDiameter:

16

TopoPSA:

27.69
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.1

QEI:

0.626

Gau:

6.344