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Common name


diflubenzuron

Formula


C14H9ClF2N2O2

CAS


35367-38-5

IUPAC name


N-[[(4-chlorophenyl)amino]carbonyl]-2,6-difluorobenzamide

SMILES


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

INCHI


InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)

Physicochemical Properties

Molecular weight:

310.683

Molar refractivity:

70.377

Num. bonds:

22

Num. double bonds:

10

Num. triple bonds:

0

Num. heavy atoms:

21

Num. nitrogen atom:

2

Num. oxygen atoms:

2

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:

64.07

Lipophilicity

ALogP:

1.795

MLogP:

2.23

XLogP:

2.197

Water Solubility

CLogS:

-4.532

Geometric

PPSA-1:

285.554

PNSA-1:

422.417

RPCS:

1.402

RNCS:

1.171

THSA:

542.729

TPSA:

165.243

RHSA:

0.767

RPSA:

0.233

Electrostatic

RPCG:

0.173

RNCG:

0.163

Flexibility

Num. Rot. bonds:

3

Frac. of Rot. bonds:

0.136

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:

1.021

QEI:

0.569

Gau:

6.138