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Common name


diazinon

Formula


C12H21N2O3PS

CAS


333-41-5

IUPAC name


O,O-diethyl O-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] phosphorothioate

SMILES


CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1

INCHI


InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3

Physicochemical Properties

Molecular weight:

304.346

Molar refractivity:

80.378

Num. bonds:

19

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

19

Num. nitrogen atom:

2

Num. oxygen atoms:

3

Num. sulphur atoms :

1

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

4

Num. H-bond donors:

0

Complexity of system:

19.07

Lipophilicity

ALogP:

1.903

MLogP:

2.01

XLogP:

2.864

Water Solubility

CLogS:

-3.725

Geometric

PPSA-1:

596.397

PNSA-1:

149.961

RPCS:

3.134

RNCS:

3.199

THSA:

667.088

TPSA:

79.269

RHSA:

0.894

RPSA:

0.106

Electrostatic

RPCG:

0.196

RNCG:

0.202

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.368

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

95.37
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.807

QEI:

0.925

Gau:

6.681