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Common name


teflubenzuron

Formula


C14H6Cl2F4N2O2

CAS


83121-18-0

IUPAC name


N-[[(3,5-dichloro-2,4-difluorophenyl)amino]carbonyl]-2,6-difluorobenzamide

SMILES


c1cc(c(c(c1)F)C(=NC(=Nc1cc(c(c(c1F)Cl)F)Cl)O)O)F

INCHI


InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)

Physicochemical Properties

Molecular weight:

381.109

Molar refractivity:

75.349

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:

6

Num. H-bond acc:

3

Num. H-bond donors:

2

Complexity of system:

73.1

Lipophilicity

ALogP:

1.983

MLogP:

1.9

XLogP:

3.006

Water Solubility

CLogS:

-5.633

Geometric

PPSA-1:

239.59

PNSA-1:

428.43

RPCS:

1.246

RNCS:

0.924

THSA:

438.12

TPSA:

229.9

RHSA:

0.656

RPSA:

0.344

Electrostatic

RPCG:

0.144

RNCG:

0.134

Flexibility

Num. Rot. bonds:

3

Frac. of Rot. bonds:

0.12

Photostability

Num. arom. bonds:

14

Num. arom. atoms:

14

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

12

TopoPSA:

34.14
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

0.908

QEI:

0.547

Gau:

5.912