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Common name


flonicamid

Formula


C9H6F3N3O

CAS


158062-67-0

IUPAC name


N-(cyanomethyl)-4-(trifluoromethyl)-3-pyridinecarboxamide

SMILES


c1cncc(c1C(F)(F)F)C(=O)NCC#N

INCHI


InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)

Physicochemical Properties

Molecular weight:

229.159

Molar refractivity:

46.958

Num. bonds:

16

Num. double bonds:

4

Num. triple bonds:

1

Num. heavy atoms:

16

Num. nitrogen atom:

3

Num. oxygen atoms:

1

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

3

Num. H-bond acc:

3

Num. H-bond donors:

2

Complexity of system:

16.07

Lipophilicity

ALogP:

-0.405

MLogP:

1.68

XLogP:

0.525

Water Solubility

CLogS:

-2.474

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

4

Frac. of Rot. bonds:

0.25

Photostability

Num. arom. bonds:

2

Num. arom. atoms:

3

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

40.86
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.263

QEI:

0.46

Gau:

5.07