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Common name


chlorethoxyfos

Formula


C6H11Cl4O3PS

CAS


54593-83-8

IUPAC name


O,O-diethyl O-(1,2,2,2-tetrachloroethyl) phosphorothioate

SMILES


CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl

INCHI


InChI=1S/C6H11Cl4O3PS/c1-3-11-14(15,12-4-2)13-5(7)6(8,9)10/h5H,3-4H2,1-2H3

Physicochemical Properties

Molecular weight:

336.001

Molar refractivity:

69.199

Num. bonds:

14

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

15

Num. nitrogen atom:

0

Num. oxygen atoms:

3

Num. sulphur atoms :

1

Num. P atoms:

1

Num. halogen atoms:

4

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

14.09

Lipophilicity

ALogP:

3.86

MLogP:

1.13

XLogP:

4.387

Water Solubility

CLogS:

-3.438

Geometric

PPSA-1:

261.456

PNSA-1:

275.202

RPCS:

6.389

RNCS:

3.219

THSA:

464.569

TPSA:

72.088

RHSA:

0.866

RPSA:

0.134

Electrostatic

RPCG:

0.217

RNCG:

0.214

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.5

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

4

topoDiameter:

7

TopoPSA:

69.59
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

2.116

QEI:

0.893

Gau:

6.693