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Common name


fenazaflor

Formula


C15H7Cl2F3N2O2

CAS


14255-88-0

IUPAC name


phenyl 5,6-dichloro-2-(trifluoromethyl)-1H-benzimidazole-1-carboxylate

SMILES


c1ccc(cc1)OC(=O)n1c2cc(c(cc2nc1C(F)(F)F)Cl)Cl

INCHI


InChI=1S/C15H7Cl2F3N2O2/c16-9-6-11-12(7-10(9)17)22(13(21-11)15(18,19)20)14(23)24-8-4-2-1-3-5-8/h1-7H

Physicochemical Properties

Molecular weight:

375.129

Molar refractivity:

90.753

Num. bonds:

26

Num. double bonds:

8

Num. triple bonds:

0

Num. heavy atoms:

24

Num. nitrogen atom:

2

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

5

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

124.09

Lipophilicity

ALogP:

3.253

MLogP:

2.12

XLogP:

3.288

Water Solubility

CLogS:

-5.293

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

4

Frac. of Rot. bonds:

0.154

Photostability

Num. arom. bonds:

16

Num. arom. atoms:

15

Num. arom. rings:

3

Num. rings:

3

Topological

topoRadius:

6

topoDiameter:

11

TopoPSA:

44.12
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.078

QEI:

0.608

Gau:

5.742