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Common name


prallethrin

Formula


C19H24O3

CAS


23031-36-9

IUPAC name


2-methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate

SMILES


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

INCHI


InChI=1S/C19H24O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h1,9,14,16-17H,8,10H2,2-6H3

Physicochemical Properties

Molecular weight:

300.392

Molar refractivity:

86.459

Num. bonds:

23

Num. double bonds:

4

Num. triple bonds:

1

Num. heavy atoms:

22

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:

67.03

Lipophilicity

ALogP:

3.764

MLogP:

3.22

XLogP:

2.945

Water Solubility

CLogS:

-3.446

Geometric

PPSA-1:

461.674

PNSA-1:

188.375

RPCS:

0.318

RNCS:

0.609

THSA:

585.141

TPSA:

64.908

RHSA:

0.9

RPSA:

0.1

Electrostatic

RPCG:

0.171

RNCG:

0.198

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.217

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

12

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:

0.87

Gau:

6.746