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Common name


methacrifos

Formula


C7H13O5PS

CAS


62610-77-9

IUPAC name


methyl (2E)-3-[(dimethoxyphosphinothioyl)oxy]-2-methyl-2-propenoate

SMILES


C/C(=C\OP(=S)(OC)OC)/C(=O)OC

INCHI


InChI=1S/C7H13O5PS/c1-6(7(8)9-2)5-12-13(14,10-3)11-4/h5H,1-4H3/b6-5+

Physicochemical Properties

Molecular weight:

240.214

Molar refractivity:

56.224

Num. bonds:

13

Num. double bonds:

3

Num. triple bonds:

0

Num. heavy atoms:

14

Num. nitrogen atom:

0

Num. oxygen atoms:

5

Num. sulphur atoms :

1

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

5

Num. H-bond donors:

0

Complexity of system:

13.07

Lipophilicity

ALogP:

1.409

MLogP:

1.46

XLogP:

1.939

Water Solubility

CLogS:

-0.658

Geometric

PPSA-1:

408.185

PNSA-1:

126.423

RPCS:

4.024

RNCS:

3.531

THSA:

391.848

TPSA:

142.759

RHSA:

0.733

RPSA:

0.267

Electrostatic

RPCG:

0.197

RNCG:

0.209

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.462

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

95.89
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.96

QEI:

0.798

Gau:

5.5