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Common name


cyphenothrin

Formula


C24H25NO3

CAS


39515-40-7

IUPAC name


cyano(3-phenoxyphenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate

SMILES


CC(=CC1C(C(=O)OC(C#N)c2cccc(c2)Oc2ccccc2)C1(C)C)C

INCHI


InChI=1S/C24H25NO3/c1-16(2)13-20-22(24(20,3)4)23(26)28-21(15-25)17-9-8-12-19(14-17)27-18-10-6-5-7-11-18/h5-14,20-22H,1-4H3

Physicochemical Properties

Molecular weight:

375.46

Molar refractivity:

117.908

Num. bonds:

30

Num. double bonds:

8

Num. triple bonds:

1

Num. heavy atoms:

28

Num. nitrogen atom:

1

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

144.04

Lipophilicity

ALogP:

3.545

MLogP:

3.66

XLogP:

3.807

Water Solubility

CLogS:

-5.055

Geometric

PPSA-1:

503.949

PNSA-1:

243.221

RPCS:

1.201

RNCS:

2.411

THSA:

638.581

TPSA:

108.59

RHSA:

0.855

RPSA:

0.145

Electrostatic

RPCG:

0.139

RNCG:

0.161

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.233

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

3

Topological

topoRadius:

8

topoDiameter:

15

TopoPSA:

59.32
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.438

QEI:

0.763

Gau:

6.203