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Common name


dimethylvinphos

Formula


C10H10Cl3O4P

CAS


2274-67-1

IUPAC name


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

SMILES


COP(=O)(OC)O/C(=C\Cl)/c1ccc(cc1Cl)Cl

INCHI


InChI=1S/C10H10Cl3O4P/c1-15-18(14,16-2)17-10(6-11)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3/b10-6-

Physicochemical Properties

Molecular weight:

331.517

Molar refractivity:

75.847

Num. bonds:

18

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

18

Num. nitrogen atom:

0

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

1

Num. halogen atoms:

3

Num. H-bond acc:

4

Num. H-bond donors:

0

Complexity of system:

18.08

Lipophilicity

ALogP:

2.367

MLogP:

1.68

XLogP:

2.642

Water Solubility

CLogS:

-3.867

Geometric

PPSA-1:

268.233

PNSA-1:

279.364

RPCS:

0.396

RNCS:

3.188

THSA:

487.124

TPSA:

60.473

RHSA:

0.89

RPSA:

0.11

Electrostatic

RPCG:

0.3

RNCG:

0.187

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.278

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:

0.896

Gau:

6.736