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Common name


tetramethrin

Formula


C19H25NO4

CAS


7696-12-0

IUPAC name


(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate

SMILES


CC(=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C)C

INCHI


InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3

Physicochemical Properties

Molecular weight:

331.406

Molar refractivity:

84.034

Num. bonds:

26

Num. double bonds:

6

Num. triple bonds:

0

Num. heavy atoms:

24

Num. nitrogen atom:

1

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

5

Num. H-bond donors:

0

Complexity of system:

124.05

Lipophilicity

ALogP:

-0.034

MLogP:

3

XLogP:

3.071

Water Solubility

CLogS:

-3.246

Geometric

PPSA-1:

490.822

PNSA-1:

140.834

RPCS:

0.189

RNCS:

2.478

THSA:

543.625

TPSA:

88.031

RHSA:

0.861

RPSA:

0.139

Electrostatic

RPCG:

0.143

RNCG:

0.156

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.192

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

3

Topological

topoRadius:

6

topoDiameter:

12

TopoPSA:

60.44
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.755

QEI:

0.714

Gau:

5.178