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Common name


terallethrin

Formula


C17H24O3

CAS


15589-31-8

IUPAC name


2-methyl-4-oxo-3-(2-propen-1-yl)-2-cyclopenten-1-yl 2,2,3,3-tetramethylcyclopropanecarboxylate

SMILES


C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C)(C)C1(C)C

INCHI


InChI=1S/C17H24O3/c1-7-8-11-10(2)13(9-12(11)18)20-15(19)14-16(3,4)17(14,5)6/h7,13-14H,1,8-9H2,2-6H3

Physicochemical Properties

Molecular weight:

276.371

Molar refractivity:

78.738

Num. bonds:

21

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

20

Num. nitrogen atom:

0

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:

61.03

Lipophilicity

ALogP:

3.061

MLogP:

3

XLogP:

3.535

Water Solubility

CLogS:

-3.948

Geometric

PPSA-1:

447.856

PNSA-1:

164.115

RPCS:

0.214

RNCS:

0.336

THSA:

542.831

TPSA:

69.14

RHSA:

0.887

RPSA:

0.113

Electrostatic

RPCG:

0.189

RNCG:

0.218

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.238

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

2

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

43.37
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

2.108

QEI:

0.899

Gau:

6.946