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Common name


triflumuron

Formula


C15H10ClF3N2O3

CAS


64628-44-0

IUPAC name


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

SMILES


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

INCHI


InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)

Physicochemical Properties

Molecular weight:

358.7

Molar refractivity:

77.876

Num. bonds:

25

Num. double bonds:

10

Num. triple bonds:

0

Num. heavy atoms:

24

Num. nitrogen atom:

2

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

4

Num. H-bond acc:

3

Num. H-bond donors:

2

Complexity of system:

73.09

Lipophilicity

ALogP:

3.613

MLogP:

2.12

XLogP:

3.668

Water Solubility

CLogS:

-4.42

Geometric

PPSA-1:

293.867

PNSA-1:

450.049

RPCS:

4.273

RNCS:

0.774

THSA:

635.639

TPSA:

108.277

RHSA:

0.854

RPSA:

0.146

Electrostatic

RPCG:

0.235

RNCG:

0.137

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.2

Photostability

Num. arom. bonds:

14

Num. arom. atoms:

14

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

7

topoDiameter:

14

TopoPSA:

43.37
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.028

QEI:

0.567

Gau:

6.364