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Common name


methocrotophos

Formula


C8H16NO6P

CAS


25601-84-7

IUPAC name


(1E)-3-(methoxymethylamino)-1-methyl-3-oxo-1-propen-1-yl dimethyl phosphate

SMILES


C/C(=C\C(=O)N(C)OC)/OP(=O)(OC)OC

INCHI


InChI=1S/C8H16NO6P/c1-7(6-8(10)9(2)12-3)15-16(11,13-4)14-5/h6H,1-5H3/b7-6+

Physicochemical Properties

Molecular weight:

253.19

Molar refractivity:

58.16

Num. bonds:

15

Num. double bonds:

3

Num. triple bonds:

0

Num. heavy atoms:

16

Num. nitrogen atom:

1

Num. oxygen atoms:

6

Num. sulphur atoms :

0

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

5

Num. H-bond donors:

2

Complexity of system:

15.08

Lipophilicity

ALogP:

-0.125

MLogP:

1.46

XLogP:

-0.437

Water Solubility

CLogS:

-0.176

Geometric

PPSA-1:

415.684

PNSA-1:

146.148

RPCS:

2.581

RNCS:

2.611

THSA:

415.76

TPSA:

146.073

RHSA:

0.74

RPSA:

0.26

Electrostatic

RPCG:

0.261

RNCG:

0.168

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.467

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

84.11
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.399

QEI:

0.512

Gau:

4.661