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Common name


azinphos-methyl

Formula


C10H12N3O3PS2

CAS


86-50-0

IUPAC name


O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] phosphorodithioate

SMILES


COP(=S)(OC)SCn1c(=O)c2ccccc2nn1

INCHI


InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3

Physicochemical Properties

Molecular weight:

317.324

Molar refractivity:

82.289

Num. bonds:

20

Num. double bonds:

6

Num. triple bonds:

0

Num. heavy atoms:

19

Num. nitrogen atom:

3

Num. oxygen atoms:

3

Num. sulphur atoms :

2

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

5

Num. H-bond donors:

0

Complexity of system:

58.09

Lipophilicity

ALogP:

2.116

MLogP:

1.57

XLogP:

1.463

Water Solubility

CLogS:

-2.405

Geometric

PPSA-1:

348.383

PNSA-1:

166.152

RPCS:

2.963

RNCS:

1.837

THSA:

442.599

TPSA:

71.936

RHSA:

0.86

RPSA:

0.14

Electrostatic

RPCG:

0.171

RNCG:

0.216

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.25

Photostability

Num. arom. bonds:

8

Num. arom. atoms:

8

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

127.45
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.341

QEI:

0.735

Gau:

5.757