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Common name


dimethrin

Formula


C19H26O2

CAS


70-38-2

IUPAC name


(2,4-dimethylphenyl)methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate

SMILES


CC(=CC1C(C(=O)OCc2ccc(C)cc2C)C1(C)C)C

INCHI


InChI=1S/C19H26O2/c1-12(2)9-16-17(19(16,5)6)18(20)21-11-15-8-7-13(3)10-14(15)4/h7-10,16-17H,11H2,1-6H3

Physicochemical Properties

Molecular weight:

286.409

Molar refractivity:

90.432

Num. bonds:

22

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

21

Num. nitrogen atom:

0

Num. oxygen atoms:

2

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:

64.02

Lipophilicity

ALogP:

4.216

MLogP:

3.33

XLogP:

4.73

Water Solubility

CLogS:

-4.803

Geometric

PPSA-1:

485.627

PNSA-1:

140.646

RPCS:

0.341

RNCS:

0.72

THSA:

597.805

TPSA:

28.468

RHSA:

0.955

RPSA:

0.045

Electrostatic

RPCG:

0.201

RNCG:

0.234

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.227

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

12

TopoPSA:

26.3
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.913

QEI:

0.776

Gau:

6.148