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Common name


fenpropathrin

Formula


C22H23NO3

CAS


39515-41-8

IUPAC name


cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetramethylcyclopropanecarboxylate

SMILES


CC1(C)C(C(=O)OC(C#N)c2cccc(c2)Oc2ccccc2)C1(C)C

INCHI


InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3

Physicochemical Properties

Molecular weight:

349.423

Molar refractivity:

107.65

Num. bonds:

28

Num. double bonds:

7

Num. triple bonds:

1

Num. heavy atoms:

26

Num. nitrogen atom:

1

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

134.04

Lipophilicity

ALogP:

3.034

MLogP:

3.44

XLogP:

3.628

Water Solubility

CLogS:

-5.203

Geometric

PPSA-1:

469.767

PNSA-1:

266.168

RPCS:

1.726

RNCS:

2.569

THSA:

614.022

TPSA:

121.913

RHSA:

0.834

RPSA:

0.166

Electrostatic

RPCG:

0.148

RNCG:

0.172

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.214

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

3

Topological

topoRadius:

7

topoDiameter:

13

TopoPSA:

59.32
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.356

QEI:

0.814

Gau:

6.585