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Common name


penfluron

Formula


C15H9F5N2O2

CAS


35367-31-8

IUPAC name


2,6-difluoro-N-[[[4-(trifluoromethyl)phenyl]amino]carbonyl]benzamide

SMILES


c1cc(c(c(c1)F)C(=O)NC(=O)Nc1ccc(cc1)C(F)(F)F)F

INCHI


InChI=1S/C15H9F5N2O2/c16-10-2-1-3-11(17)12(10)13(23)22-14(24)21-9-6-4-8(5-7-9)15(18,19)20/h1-7H,(H2,21,22,23,24)

Physicochemical Properties

Molecular weight:

344.236

Molar refractivity:

70.875

Num. bonds:

25

Num. double bonds:

10

Num. triple bonds:

0

Num. heavy atoms:

24

Num. nitrogen atom:

2

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

5

Num. H-bond acc:

3

Num. H-bond donors:

2

Complexity of system:

73.09

Lipophilicity

ALogP:

2.329

MLogP:

2.12

XLogP:

2.5

Water Solubility

CLogS:

-4.783

Geometric

PPSA-1:

272.393

PNSA-1:

464.671

RPCS:

0.034

RNCS:

0.921

THSA:

571.986

TPSA:

165.078

RHSA:

0.776

RPSA:

0.224

Electrostatic

RPCG:

0.182

RNCG:

0.135

Flexibility

Num. Rot. bonds:

4

Frac. of Rot. bonds:

0.16

Photostability

Num. arom. bonds:

14

Num. arom. atoms:

14

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

7

topoDiameter:

13

TopoPSA:

34.14
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

0.927

QEI:

0.592

Gau:

6.327