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Common name


flupyradifurone

Formula


C12H11ClF2N2O2

CAS


951659-40-8

IUPAC name


4-[[(6-chloro-3-pyridinyl)methyl](2,2-difluoroethyl)amino]-2(5H)-furanone

SMILES


c1cc(Cl)ncc1CN(CC(F)F)C1=CC(=O)OC1

INCHI


InChI=1S/C12H11ClF2N2O2/c13-10-2-1-8(4-16-10)5-17(6-11(14)15)9-3-12(18)19-7-9/h1-4,11H,5-7H2

Physicochemical Properties

Molecular weight:

288.678

Molar refractivity:

66.693

Num. bonds:

20

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

19

Num. nitrogen atom:

2

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

3

Num. H-bond acc:

4

Num. H-bond donors:

1

Complexity of system:

58.07

Lipophilicity

ALogP:

0.418

MLogP:

2.01

XLogP:

2.038

Water Solubility

CLogS:

-3.423

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.25

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

29.54
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.368

QEI:

0.714

Gau:

5.913