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Common name


lirimfos

Formula


C11H19N2O4PS

CAS


38260-63-8

IUPAC name


O-[6-ethoxy-2-(1-methylethyl)-4-pyrimidinyl] O,O-dimethyl phosphorothioate

SMILES


CCOc1cc(nc(C(C)C)n1)OP(=S)(OC)OC

INCHI


InChI=1S/C11H19N2O4PS/c1-6-16-9-7-10(13-11(12-9)8(2)3)17-18(19,14-4)15-5/h7-8H,6H2,1-5H3

Physicochemical Properties

Molecular weight:

306.318

Molar refractivity:

77.571

Num. bonds:

19

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

19

Num. nitrogen atom:

2

Num. oxygen atoms:

4

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:

19.08

Lipophilicity

ALogP:

1.732

MLogP:

1.79

XLogP:

2.5

Water Solubility

CLogS:

-3.06

Geometric

PPSA-1:

550.964

PNSA-1:

171.666

RPCS:

0.334

RNCS:

4.586

THSA:

636.849

TPSA:

85.782

RHSA:

0.881

RPSA:

0.119

Electrostatic

RPCG:

0.169

RNCG:

0.186

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:

104.6
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.807

QEI:

0.926

Gau:

6.161