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Common name


malathion

Formula


C10H19O6PS2

CAS


121-75-5

IUPAC name


diethyl 2-[(dimethoxyphosphinothioyl)thio]butanedioate

SMILES


CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC

INCHI


InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3

Physicochemical Properties

Molecular weight:

330.358

Molar refractivity:

77.273

Num. bonds:

18

Num. double bonds:

3

Num. triple bonds:

0

Num. heavy atoms:

19

Num. nitrogen atom:

0

Num. oxygen atoms:

6

Num. sulphur atoms :

2

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

6

Num. H-bond donors:

0

Complexity of system:

18.09

Lipophilicity

ALogP:

1.964

MLogP:

1.57

XLogP:

2.007

Water Solubility

CLogS:

-1.857

Geometric

PPSA-1:

481.552

PNSA-1:

231.139

RPCS:

0.08

RNCS:

1.274

THSA:

625.959

TPSA:

86.732

RHSA:

0.878

RPSA:

0.122

Electrostatic

RPCG:

0.141

RNCG:

0.166

Flexibility

Num. Rot. bonds:

11

Frac. of Rot. bonds:

0.611

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

138.26
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.279

QEI:

0.484

Gau:

3.871