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Common name


zolaprofos

Formula


C10H18NO3PS2

CAS


63771-69-7

IUPAC name


O-ethyl S-[(3-methyl-5-isoxazolyl)methyl] S-propyl phosphorodithioate

SMILES


CCCSP(=O)(OCC)SCc1cc(C)no1

INCHI


InChI=1S/C10H18NO3PS2/c1-4-6-16-15(12,13-5-2)17-8-10-7-9(3)11-14-10/h7H,4-6,8H2,1-3H3

Physicochemical Properties

Molecular weight:

295.359

Molar refractivity:

75.338

Num. bonds:

17

Num. double bonds:

3

Num. triple bonds:

0

Num. heavy atoms:

17

Num. nitrogen atom:

1

Num. oxygen atoms:

3

Num. sulphur atoms :

2

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

17.07

Lipophilicity

ALogP:

0.821

MLogP:

1.79

XLogP:

2.269

Water Solubility

CLogS:

-3.839

Geometric

PPSA-1:

403.719

PNSA-1:

212.559

RPCS:

0.165

RNCS:

1.087

THSA:

568.912

TPSA:

47.366

RHSA:

0.923

RPSA:

0.077

Electrostatic

RPCG:

0.249

RNCG:

0.256

Flexibility

Num. Rot. bonds:

8

Frac. of Rot. bonds:

0.471

Photostability

Num. arom. bonds:

5

Num. arom. atoms:

5

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

112.74
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.851

QEI:

0.844

Gau:

6.179