Responsive image

Common name


trifenofos

Formula


C11H14Cl3O3PS

CAS


38524-82-2

IUPAC name


O-ethyl S-propyl O-(2,4,6-trichlorophenyl) phosphorothioate

SMILES


CCCSP(=O)(OCC)Oc1c(cc(cc1Cl)Cl)Cl

INCHI


InChI=1S/C11H14Cl3O3PS/c1-3-5-19-18(15,16-4-2)17-11-9(13)6-8(12)7-10(11)14/h6-7H,3-5H2,1-2H3

Physicochemical Properties

Molecular weight:

363.625

Molar refractivity:

85.397

Num. bonds:

19

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

19

Num. nitrogen atom:

0

Num. oxygen atoms:

3

Num. sulphur atoms :

1

Num. P atoms:

1

Num. halogen atoms:

3

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

19.08

Lipophilicity

ALogP:

2.65

MLogP:

1.79

XLogP:

3.947

Water Solubility

CLogS:

-5.492

Geometric

PPSA-1:

170.788

PNSA-1:

308.759

RPCS:

0.12

RNCS:

2.696

THSA:

443.337

TPSA:

36.21

RHSA:

0.924

RPSA:

0.076

Electrostatic

RPCG:

0.272

RNCG:

0.214

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.368

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

70.64
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.92

QEI:

0.894

Gau:

7.048