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Common name


phosphamidon

Formula


C10H19ClNO5P

CAS


13171-21-6

IUPAC name


2-chloro-3-(diethylamino)-1-methyl-3-oxo-1-propen-1-yl dimethyl phosphate

SMILES


CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl

INCHI


InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3

Physicochemical Properties

Molecular weight:

299.688

Molar refractivity:

69.92

Num. bonds:

17

Num. double bonds:

3

Num. triple bonds:

0

Num. heavy atoms:

18

Num. nitrogen atom:

1

Num. oxygen atoms:

5

Num. sulphur atoms :

0

Num. P atoms:

1

Num. halogen atoms:

1

Num. H-bond acc:

6

Num. H-bond donors:

1

Complexity of system:

17.08

Lipophilicity

ALogP:

1.006

MLogP:

1.68

XLogP:

1.077

Water Solubility

CLogS:

-1.846

Geometric

PPSA-1:

437.838

PNSA-1:

231.403

RPCS:

0.506

RNCS:

3.261

THSA:

545.155

TPSA:

124.086

RHSA:

0.815

RPSA:

0.185

Electrostatic

RPCG:

0.255

RNCG:

0.159

Flexibility

Num. Rot. bonds:

8

Frac. of Rot. bonds:

0.471

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

74.88
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.557

QEI:

0.6

Gau:

5.143