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Common name


fenpirithrin

Formula


C21H18Cl2N2O3

CAS


68523-18-2

IUPAC name


cyano(6-phenoxy-2-pyridinyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate

SMILES


CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(n1)Oc1ccccc1

INCHI


InChI=1S/C21H18Cl2N2O3/c1-21(2)14(11-17(22)23)19(21)20(26)28-16(12-24)15-9-6-10-18(25-15)27-13-7-4-3-5-8-13/h3-11,14,16,19H,1-2H3

Physicochemical Properties

Molecular weight:

417.285

Molar refractivity:

112.493

Num. bonds:

30

Num. double bonds:

8

Num. triple bonds:

1

Num. heavy atoms:

28

Num. nitrogen atom:

2

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

2

Num. H-bond acc:

4

Num. H-bond donors:

1

Complexity of system:

144.07

Lipophilicity

ALogP:

3.144

MLogP:

3

XLogP:

3.845

Water Solubility

CLogS:

-5.256

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.233

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

2

Num. rings:

3

Topological

topoRadius:

8

topoDiameter:

15

TopoPSA:

59.32
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.075

QEI:

0.603

Gau:

5.719