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Common name


imiprothrin

Formula


C17H22N2O4

CAS


72963-72-5

IUPAC name


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

SMILES


C#CCN1CC(=O)N(COC(=O)[C@@H]2C(C=C(C)C)C2(C)C)C1=O

INCHI


InChI=1S/C17H22N2O4/c1-6-7-18-9-13(20)19(16(18)22)10-23-15(21)14-12(8-11(2)3)17(14,4)5/h1,8,12,14H,7,9-10H2,2-5H3/t12?,14-/m0/s1

Physicochemical Properties

Molecular weight:

318.368

Molar refractivity:

76.455

Num. bonds:

24

Num. double bonds:

6

Num. triple bonds:

1

Num. heavy atoms:

23

Num. nitrogen atom:

2

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

6

Num. H-bond donors:

0

Complexity of system:

70.06

Lipophilicity

ALogP:

0.28

MLogP:

2.67

XLogP:

1.688

Water Solubility

CLogS:

-1.719

Geometric

PPSA-1:

445.024

PNSA-1:

197.702

RPCS:

0.621

RNCS:

0.146

THSA:

539.59

TPSA:

103.136

RHSA:

0.84

RPSA:

0.16

Electrostatic

RPCG:

0.15

RNCG:

0.138

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.25

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

2

Topological

topoRadius:

7

topoDiameter:

13

TopoPSA:

60.44
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.719

QEI:

0.631

Gau:

5.385