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Common name


fluxametamide

Formula


C20H16Cl2F3N3O3

CAS


928783-29-3

IUPAC name


4-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-N-[(methoxyamino)methylene]-2-methylbenzamide

SMILES


Cc1cc(ccc1C(=O)N=CNOC)C1=NOC(C1)(c1cc(cc(c1)Cl)Cl)C(F)(F)F

INCHI


InChI=1S/C20H16Cl2F3N3O3/c1-11-5-12(3-4-16(11)18(29)26-10-27-30-2)17-9-19(31-28-17,20(23,24)25)13-6-14(21)8-15(22)7-13/h3-8,10H,9H2,1-2H3,(H,26,27,29)

Physicochemical Properties

Molecular weight:

474.261

Molar refractivity:

115.583

Num. bonds:

33

Num. double bonds:

9

Num. triple bonds:

0

Num. heavy atoms:

31

Num. nitrogen atom:

3

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

5

Num. H-bond acc:

2

Num. H-bond donors:

1

Complexity of system:

159.11

Lipophilicity

ALogP:

2.625

MLogP:

2.45

XLogP:

3.892

Water Solubility

CLogS:

-7.176

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.212

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

3

Topological

topoRadius:

8

topoDiameter:

16

TopoPSA:

76.86
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.138

QEI:

0.476

Gau:

5.545