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Common name


tetrachlorvinphos

Formula


C10H9Cl4O4P

CAS


22248-79-9

IUPAC name


(1Z)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl phosphate

SMILES


COP(=O)(OC)O/C(=C\Cl)/c1cc(c(cc1Cl)Cl)Cl

INCHI


InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5-

Physicochemical Properties

Molecular weight:

365.962

Molar refractivity:

80.563

Num. bonds:

19

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

19

Num. nitrogen atom:

0

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

1

Num. halogen atoms:

4

Num. H-bond acc:

4

Num. H-bond donors:

0

Complexity of system:

19.09

Lipophilicity

ALogP:

2.735

MLogP:

1.57

XLogP:

3.219

Water Solubility

CLogS:

-4.612

Geometric

PPSA-1:

284.406

PNSA-1:

320.217

RPCS:

1.205

RNCS:

2.048

THSA:

543.251

TPSA:

61.372

RHSA:

0.898

RPSA:

0.102

Electrostatic

RPCG:

0.288

RNCG:

0.18

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.263

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

54.57
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.562

QEI:

0.865

Gau:

6.549