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Common name


flufiprole

Formula


C16H10Cl2F6N4OS

CAS


704886-18-0

IUPAC name


1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(2-methyl-2-propen-1-yl)amino]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile

SMILES


C=C(C)CNc1c(c(C#N)nn1c1c(cc(cc1Cl)C(F)(F)F)Cl)S(=O)C(F)(F)F

INCHI


InChI=1S/C16H10Cl2F6N4OS/c1-7(2)6-26-14-13(30(29)16(22,23)24)11(5-25)27-28(14)12-9(17)3-8(4-10(12)18)15(19,20)21/h3-4,26H,1,6H2,2H3

Physicochemical Properties

Molecular weight:

491.238

Molar refractivity:

68.477

Num. bonds:

31

Num. double bonds:

2

Num. triple bonds:

1

Num. heavy atoms:

30

Num. nitrogen atom:

4

Num. oxygen atoms:

1

Num. sulphur atoms :

1

Num. P atoms:

0

Num. halogen atoms:

8

Num. H-bond acc:

5

Num. H-bond donors:

2

Complexity of system:

91.14

Lipophilicity

ALogP:

4.677

MLogP:

1.68

XLogP:

4.248

Water Solubility

CLogS:

-6.855

Geometric

PPSA-1:

227.658

PNSA-1:

430.723

RPCS:

0.032

RNCS:

0

THSA:

581.485

TPSA:

76.896

RHSA:

0.883

RPSA:

0.117

Electrostatic

RPCG:

0.172

RNCG:

0.106

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.226

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

11

Num. arom. rings:

0

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

11

TopoPSA:

92.3
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.232

QEI:

0.35

Gau:

3.832