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Common name


momfluorothrin

Formula


C19H19F4NO3

CAS


609346-29-4

IUPAC name


[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 3-(2-cyano-1-propen-1-yl)-2,2-dimethylcyclopropanecarboxylate

SMILES


CC(=CC1C(C(=O)OCc2c(c(c(COC)c(c2F)F)F)F)C1(C)C)C#N

INCHI


InChI=1S/C19H19F4NO3/c1-9(6-24)5-12-13(19(12,2)3)18(25)27-8-11-16(22)14(20)10(7-26-4)15(21)17(11)23/h5,12-13H,7-8H2,1-4H3

Physicochemical Properties

Molecular weight:

385.353

Molar refractivity:

93.884

Num. bonds:

28

Num. double bonds:

5

Num. triple bonds:

1

Num. heavy atoms:

27

Num. nitrogen atom:

1

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

4

Num. H-bond acc:

4

Num. H-bond donors:

0

Complexity of system:

82.08

Lipophilicity

ALogP:

2.119

MLogP:

2.67

XLogP:

2.093

Water Solubility

CLogS:

-5.771

Geometric

PPSA-1:

487.107

PNSA-1:

294.067

RPCS:

0.379

RNCS:

2.779

THSA:

529.437

TPSA:

251.737

RHSA:

0.678

RPSA:

0.322

Electrostatic

RPCG:

0.118

RNCG:

0.168

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.25

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

2

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:

1.607

QEI:

0.88

Gau:

6.604