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Common name


noviflumuron

Formula


C17H7Cl2F9N2O3

CAS


121451-02-3

IUPAC name


N-[[[3,5-dichloro-2-fluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-2,6-difluorobenzamide

SMILES


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

INCHI


InChI=1S/C17H7Cl2F9N2O3/c18-5-4-8(29-15(32)30-13(31)9-6(20)2-1-3-7(9)21)11(22)10(19)12(5)33-17(27,28)14(23)16(24,25)26/h1-4,14H,(H2,29,30,31,32)

Physicochemical Properties

Molecular weight:

529.141

Molar refractivity:

92.15

Num. bonds:

34

Num. double bonds:

10

Num. triple bonds:

0

Num. heavy atoms:

33

Num. nitrogen atom:

2

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

11

Num. H-bond acc:

3

Num. H-bond donors:

2

Complexity of system:

100.16

Lipophilicity

ALogP:

3.995

MLogP:

1.57

XLogP:

5.765

Water Solubility

CLogS:

-6.765

Geometric

PPSA-1:

252.398

PNSA-1:

621.617

RPCS:

0

RNCS:

0.627

THSA:

637.796

TPSA:

236.219

RHSA:

0.73

RPSA:

0.27

Electrostatic

RPCG:

0.125

RNCG:

0.089

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.206

Photostability

Num. arom. bonds:

14

Num. arom. atoms:

14

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

8

topoDiameter:

16

TopoPSA:

43.37
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.023

QEI:

0.353

Gau:

5.415