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Common name


chlorfluazuron

Formula


C20H9Cl3F5N3O3

CAS


71422-67-8

IUPAC name


N-[[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]amino]carbonyl]-2,6-difluorobenzamide

SMILES


c1cc(c(c(c1)F)C(=O)NC(=O)Nc1cc(c(c(c1)Cl)Oc1c(cc(cn1)C(F)(F)F)Cl)Cl)F

INCHI


InChI=1S/C20H9Cl3F5N3O3/c21-10-5-9(30-19(33)31-17(32)15-13(24)2-1-3-14(15)25)6-11(22)16(10)34-18-12(23)4-8(7-29-18)20(26,27)28/h1-7H,(H2,30,31,32,33)

Physicochemical Properties

Molecular weight:

540.655

Molar refractivity:

109.5

Num. bonds:

36

Num. double bonds:

13

Num. triple bonds:

0

Num. heavy atoms:

34

Num. nitrogen atom:

3

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

8

Num. H-bond acc:

4

Num. H-bond donors:

3

Complexity of system:

174.14

Lipophilicity

ALogP:

3.61

MLogP:

2.12

XLogP:

4.898

Water Solubility

CLogS:

-7.844

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.167

Photostability

Num. arom. bonds:

14

Num. arom. atoms:

14

Num. arom. rings:

3

Num. rings:

3

Topological

topoRadius:

9

topoDiameter:

18

TopoPSA:

43.37
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

0.697

QEI:

0.254

Gau:

5.002