Responsive image

Common name


pentmethrin

Formula


C15H19Cl2NO2

CAS


79302-84-4

IUPAC name


1-cyano-2-methyl-2-penten-1-yl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate

SMILES


CCC=C(C)C(C#N)OC(=O)C1C(C=C(Cl)Cl)C1(C)C

INCHI


InChI=1S/C15H19Cl2NO2/c1-5-6-9(2)11(8-18)20-14(19)13-10(7-12(16)17)15(13,3)4/h6-7,10-11,13H,5H2,1-4H3

Physicochemical Properties

Molecular weight:

316.223

Molar refractivity:

80.882

Num. bonds:

20

Num. double bonds:

3

Num. triple bonds:

1

Num. heavy atoms:

20

Num. nitrogen atom:

1

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

2

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

20.05

Lipophilicity

ALogP:

2.551

MLogP:

2.56

XLogP:

3.751

Water Solubility

CLogS:

-3.409

Geometric

PPSA-1:

406.192

PNSA-1:

322.925

RPCS:

0.374

RNCS:

0.988

THSA:

651.911

TPSA:

77.207

RHSA:

0.894

RPSA:

0.106

Electrostatic

RPCG:

0.183

RNCG:

0.199

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.3

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

1

Topological

topoRadius:

6

topoDiameter:

11

TopoPSA:

50.09
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

2.046

QEI:

0.974

Gau:

7.1