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Common name


mevinphos

Formula


C7H13O6P

CAS


7786-34-7

IUPAC name


methyl 3-[(dimethoxyphosphinyl)oxy]-2-butenoate

SMILES


CC(=CC(=O)OC)OP(=O)(OC)OC

INCHI


InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3

Physicochemical Properties

Molecular weight:

224.148

Molar refractivity:

49.694

Num. bonds:

13

Num. double bonds:

3

Num. triple bonds:

0

Num. heavy atoms:

14

Num. nitrogen atom:

0

Num. oxygen atoms:

6

Num. sulphur atoms :

0

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

6

Num. H-bond donors:

1

Complexity of system:

13.07

Lipophilicity

ALogP:

0.471

MLogP:

1.46

XLogP:

0.043

Water Solubility

CLogS:

-0.455

Geometric

PPSA-1:

362.16

PNSA-1:

142.463

RPCS:

2.763

RNCS:

4.607

THSA:

350.74

TPSA:

153.883

RHSA:

0.695

RPSA:

0.305

Electrostatic

RPCG:

0.28

RNCG:

0.193

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.462

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

80.87
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.504

QEI:

0.51

Gau:

4.551