Responsive image

Common name


permethrin

Formula


C21H20Cl2O3

CAS


52645-53-1

IUPAC name


(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate

SMILES


CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(c1)Oc1ccccc1

INCHI


InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3

Physicochemical Properties

Molecular weight:

391.288

Molar refractivity:

113.628

Num. bonds:

28

Num. double bonds:

8

Num. triple bonds:

0

Num. heavy atoms:

26

Num. nitrogen atom:

0

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

2

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

134.05

Lipophilicity

ALogP:

3.571

MLogP:

3.22

XLogP:

4.534

Water Solubility

CLogS:

-5.77

Geometric

PPSA-1:

412.337

PNSA-1:

325.696

RPCS:

0.645

RNCS:

1.664

THSA:

693.527

TPSA:

44.506

RHSA:

0.94

RPSA:

0.06

Electrostatic

RPCG:

0.155

RNCG:

0.181

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.25

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

3

Topological

topoRadius:

8

topoDiameter:

15

TopoPSA:

35.53
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.503

QEI:

0.723

Gau:

6.032