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Common name


furamethrin

Formula


C18H22O3

CAS


23031-38-1

IUPAC name


[5-(2-propyn-1-yl)-2-furanyl]methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate

SMILES


C#CCc1ccc(COC(=O)C2C(C=C(C)C)C2(C)C)o1

INCHI


InChI=1S/C18H22O3/c1-6-7-13-8-9-14(21-13)11-20-17(19)16-15(10-12(2)3)18(16,4)5/h1,8-10,15-16H,7,11H2,2-5H3

Physicochemical Properties

Molecular weight:

286.365

Molar refractivity:

85.563

Num. bonds:

22

Num. double bonds:

4

Num. triple bonds:

1

Num. heavy atoms:

21

Num. nitrogen atom:

0

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:

0

Complexity of system:

64.03

Lipophilicity

ALogP:

3.089

MLogP:

3.11

XLogP:

3.584

Water Solubility

CLogS:

-3.881

Geometric

PPSA-1:

459.786

PNSA-1:

208.769

RPCS:

0.355

RNCS:

3.35

THSA:

622.879

TPSA:

45.677

RHSA:

0.932

RPSA:

0.068

Electrostatic

RPCG:

0.171

RNCG:

0.202

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.273

Photostability

Num. arom. bonds:

5

Num. arom. atoms:

5

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

7

topoDiameter:

13

TopoPSA:

39.44
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.856

QEI:

0.87

Gau:

6.932