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Common name


chlorbenzuron

Formula


C14H10Cl2N2O2

CAS


57160-47-1

IUPAC name


2-chloro-N-[[(4-chlorophenyl)amino]carbonyl]benzamide

SMILES


c1ccc(c(c1)C(=O)NC(=O)Nc1ccc(cc1)Cl)Cl

INCHI


InChI=1S/C14H10Cl2N2O2/c15-9-5-7-10(8-6-9)17-14(20)18-13(19)11-3-1-2-4-12(11)16/h1-8H,(H2,17,18,19,20)

Physicochemical Properties

Molecular weight:

309.147

Molar refractivity:

74.837

Num. bonds:

21

Num. double bonds:

10

Num. triple bonds:

0

Num. heavy atoms:

20

Num. nitrogen atom:

2

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

2

Num. H-bond acc:

3

Num. H-bond donors:

2

Complexity of system:

61.06

Lipophilicity

ALogP:

2.344

MLogP:

2.34

XLogP:

2.753

Water Solubility

CLogS:

-4.439

Geometric

PPSA-1:

314.753

PNSA-1:

364.372

RPCS:

2.046

RNCS:

1.021

THSA:

608.479

TPSA:

70.646

RHSA:

0.896

RPSA:

0.104

Electrostatic

RPCG:

0.191

RNCG:

0.18

Flexibility

Num. Rot. bonds:

3

Frac. of Rot. bonds:

0.143

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:

0.562

Gau:

6.156