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Common name


azamethiphos

Formula


C9H10ClN2O5PS

CAS


35575-96-3

IUPAC name


S-[(6-chloro-2-oxooxazolo[4,5-b]pyridin-3(2H)-yl)methyl] O,O-dimethyl phosphorothioate

SMILES


COP(=O)(OC)SCn1c2c(cc(cn2)Cl)oc1=O

INCHI


InChI=1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3

Physicochemical Properties

Molecular weight:

324.678

Molar refractivity:

69.445

Num. bonds:

20

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

19

Num. nitrogen atom:

2

Num. oxygen atoms:

5

Num. sulphur atoms :

1

Num. P atoms:

1

Num. halogen atoms:

1

Num. H-bond acc:

5

Num. H-bond donors:

1

Complexity of system:

58.1

Lipophilicity

ALogP:

1.283

MLogP:

1.35

XLogP:

0.304

Water Solubility

CLogS:

-2.703

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.25

Photostability

Num. arom. bonds:

2

Num. arom. atoms:

3

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

101.87
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.019

QEI:

0.642

Gau:

5.088