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Common name


sulfoxaflor

Formula


C10H10F3N3OS

CAS


946578-00-3

IUPAC name


N-[methyloxido[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-?4-sulfanylidene]cyanamide

SMILES


CC(c1ccc(C(F)(F)F)nc1)S(=NC#N)(=O)C

INCHI


InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3

Physicochemical Properties

Molecular weight:

277.266

Molar refractivity:

55.622

Num. bonds:

18

Num. double bonds:

5

Num. triple bonds:

1

Num. heavy atoms:

18

Num. nitrogen atom:

3

Num. oxygen atoms:

1

Num. sulphur atoms :

1

Num. P atoms:

0

Num. halogen atoms:

3

Num. H-bond acc:

4

Num. H-bond donors:

1

Complexity of system:

18.08

Lipophilicity

ALogP:

0.926

MLogP:

1.68

XLogP:

1.741

Water Solubility

CLogS:

-3.435

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

3

Frac. of Rot. bonds:

0.167

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

61.6
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.266

QEI:

0.685

Gau:

5.437